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Alpha-Halocarbonsäuren und Derivate

Organische Verbindungen, die eine Carboxylgruppe enthalten, die in der Alphaposition an eine Halogengruppe gebunden ist; Halogengruppen bestehen aus einem oder mehreren Halogenatomen (F, Cl, B, I, At). Dazu gehören Verbindungen, die aus Alpha-Halocarbonsäuren abgeleitet werden.

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1

2-Brom-3-Fluorpropionsäure, 96 %, Thermo Scientific Chemicals

CAS: 16652-36-1 Summenformel: C3H4BrFO2 Molekulargewicht (g/mol): 170.97 MDL-Nummer: MFCD09800640 InChI-Schlüssel: FBPUCVAAEPPEMG-UHFFFAOYNA-N Synonym: 2-bromo-3-fluoropropionic acid,acmc-20ao2z,3-fluoro-2-bromo-propionic acid PubChem CID: 316511 IUPAC-Name: 2-Brom-3-fluorpropansäure SMILES: OC(=O)C(Br)CF

InChI-Schlüssel FBPUCVAAEPPEMG-UHFFFAOYNA-N
IUPAC-Name 2-Brom-3-fluorpropansäure
PubChem CID 316511
CAS 16652-36-1
MDL-Nummer MFCD09800640
Molekulargewicht (g/mol) 170.97
SMILES OC(=O)C(Br)CF
Synonym 2-bromo-3-fluoropropionic acid,acmc-20ao2z,3-fluoro-2-bromo-propionic acid
Summenformel C3H4BrFO2
2

Ethyl-2-Brom-3-Methylbutyrat, 95%, Thermo Scientific Chemicals

CAS: 609-12-1 Summenformel: C7H13BrO2 Molekulargewicht (g/mol): 209.08 InChI-Schlüssel: WNFUWONOILPKNX-UHFFFAOYSA-N Synonym: ethyl 2-bromoisovalerate,ethyl 2-bromo-3-methylbutyrate,butanoic acid, 2-bromo-3-methyl-, ethyl ester,ethyl .alpha.-bromoisovalerate,2-bromoisovaleric acid ethyl ester,butyric acid, 2-bromo-3-methyl-, ethyl ester,ethyl 2-bromo-3-methyl-butanoate,.alpha.-bromoisovaleric acid ethyl ester,ethyl,a-bromoisovalerate,ethyl 2-bromo isovalerate PubChem CID: 79068 IUPAC-Name: Ethyl-2-brom-3-methylbutanoat SMILES: CCOC(=O)C(C(C)C)Br

InChI-Schlüssel WNFUWONOILPKNX-UHFFFAOYSA-N
IUPAC-Name Ethyl-2-brom-3-methylbutanoat
PubChem CID 79068
CAS 609-12-1
Molekulargewicht (g/mol) 209.08
SMILES CCOC(=O)C(C(C)C)Br
Synonym ethyl 2-bromoisovalerate,ethyl 2-bromo-3-methylbutyrate,butanoic acid, 2-bromo-3-methyl-, ethyl ester,ethyl .alpha.-bromoisovalerate,2-bromoisovaleric acid ethyl ester,butyric acid, 2-bromo-3-methyl-, ethyl ester,ethyl 2-bromo-3-methyl-butanoate,.alpha.-bromoisovaleric acid ethyl ester,ethyl,a-bromoisovalerate,ethyl 2-bromo isovalerate
Summenformel C7H13BrO2
3
Sonderaktionen verfügbar

tert-Butylbromacetat, 99 %, Thermo Scientific Chemicals

CAS: 5292-43-3 Summenformel: C6H11BrO2 Molekulargewicht (g/mol): 195.06 MDL-Nummer: MFCD00000188 InChI-Schlüssel: BNWCETAHAJSBFG-UHFFFAOYSA-N Synonym: tert-butyl bromoacetate,t-butyl bromoacetate,acetic acid, bromo-, 1,1-dimethylethyl ester,bromoacetic acid tert-butyl ester,tert-butylbromoacetate,acetic acid, bromo-, tert-butyl ester,brch2c o oc ch3 3,acetic acid, 2-bromo-, 1,1-dimethylethyl ester,bromo-acetic acid tert-butyl ester,tert-butylbromacetat PubChem CID: 79177 IUPAC-Name: tert-Butyl-2-bromacetat SMILES: CC(C)(C)OC(=O)CBr

InChI-Schlüssel BNWCETAHAJSBFG-UHFFFAOYSA-N
IUPAC-Name tert-Butyl-2-bromacetat
PubChem CID 79177
CAS 5292-43-3
MDL-Nummer MFCD00000188
Molekulargewicht (g/mol) 195.06
SMILES CC(C)(C)OC(=O)CBr
Synonym tert-butyl bromoacetate,t-butyl bromoacetate,acetic acid, bromo-, 1,1-dimethylethyl ester,bromoacetic acid tert-butyl ester,tert-butylbromoacetate,acetic acid, bromo-, tert-butyl ester,brch2c o oc ch3 3,acetic acid, 2-bromo-, 1,1-dimethylethyl ester,bromo-acetic acid tert-butyl ester,tert-butylbromacetat
Summenformel C6H11BrO2
4

tert-Butylbromacetat, 98%, Thermo Scientific Chemicals

CAS: 5292-43-3 Summenformel: C6H11BrO2 Molekulargewicht (g/mol): 195.06 MDL-Nummer: MFCD00000188 InChI-Schlüssel: BNWCETAHAJSBFG-UHFFFAOYSA-N Synonym: tert-butyl bromoacetate,t-butyl bromoacetate,acetic acid, bromo-, 1,1-dimethylethyl ester,bromoacetic acid tert-butyl ester,tert-butylbromoacetate,acetic acid, bromo-, tert-butyl ester,brch2c o oc ch3 3,acetic acid, 2-bromo-, 1,1-dimethylethyl ester,bromo-acetic acid tert-butyl ester,tert-butylbromacetat PubChem CID: 79177 IUPAC-Name: tert-Butyl-2-bromacetat SMILES: CC(C)(C)OC(=O)CBr

InChI-Schlüssel BNWCETAHAJSBFG-UHFFFAOYSA-N
IUPAC-Name tert-Butyl-2-bromacetat
PubChem CID 79177
CAS 5292-43-3
MDL-Nummer MFCD00000188
Molekulargewicht (g/mol) 195.06
SMILES CC(C)(C)OC(=O)CBr
Synonym tert-butyl bromoacetate,t-butyl bromoacetate,acetic acid, bromo-, 1,1-dimethylethyl ester,bromoacetic acid tert-butyl ester,tert-butylbromoacetate,acetic acid, bromo-, tert-butyl ester,brch2c o oc ch3 3,acetic acid, 2-bromo-, 1,1-dimethylethyl ester,bromo-acetic acid tert-butyl ester,tert-butylbromacetat
Summenformel C6H11BrO2
5

Ethyl 2,2-Difluoropropionat, 97 %, Thermo Scientific Chemicals

CAS: 28781-85-3 Summenformel: C5H8F2O2 Molekulargewicht (g/mol): 138.114 MDL-Nummer: MFCD06657970 InChI-Schlüssel: ISVLDAIKRGXNCZ-UHFFFAOYSA-N Synonym: 2,2-difluoropropionic acid ethyl ester,ethyl 2,2-difluoropropionate,2,2-difluoropropionicacidethylester,2,2-difluoro-propionic acid ethyl ester,propanoic acid, 2,2-difluoro-, ethyl ester,ethyl difluoropropionate,ethyl 2,2 difluoropropionate,difluoropropionic acid ethyl ester,2,2-difluoropropionic acidethyl ester PubChem CID: 2761188 IUPAC-Name: Ethyl-2,2-difluorpropanoat SMILES: CCOC(=O)C(C)(F)F

InChI-Schlüssel ISVLDAIKRGXNCZ-UHFFFAOYSA-N
IUPAC-Name Ethyl-2,2-difluorpropanoat
PubChem CID 2761188
CAS 28781-85-3
MDL-Nummer MFCD06657970
Molekulargewicht (g/mol) 138.114
SMILES CCOC(=O)C(C)(F)F
Synonym 2,2-difluoropropionic acid ethyl ester,ethyl 2,2-difluoropropionate,2,2-difluoropropionicacidethylester,2,2-difluoro-propionic acid ethyl ester,propanoic acid, 2,2-difluoro-, ethyl ester,ethyl difluoropropionate,ethyl 2,2 difluoropropionate,difluoropropionic acid ethyl ester,2,2-difluoropropionic acidethyl ester
Summenformel C5H8F2O2
6

Ethyl 2-Bromisovaleriansäureester, 97 %, Thermo Scientific Chemicals

CAS: 609-12-1 Summenformel: C7H13BrO2 Molekulargewicht (g/mol): 209.083 MDL-Nummer: MFCD00026855 InChI-Schlüssel: WNFUWONOILPKNX-UHFFFAOYSA-N Synonym: ethyl 2-bromoisovalerate,ethyl 2-bromo-3-methylbutyrate,butanoic acid, 2-bromo-3-methyl-, ethyl ester,ethyl .alpha.-bromoisovalerate,2-bromoisovaleric acid ethyl ester,butyric acid, 2-bromo-3-methyl-, ethyl ester,ethyl 2-bromo-3-methyl-butanoate,.alpha.-bromoisovaleric acid ethyl ester,ethyl,a-bromoisovalerate,ethyl 2-bromo isovalerate PubChem CID: 79068 IUPAC-Name: Ethyl-2-brom-3-methylbutanoat SMILES: CCOC(=O)C(C(C)C)Br

InChI-Schlüssel WNFUWONOILPKNX-UHFFFAOYSA-N
IUPAC-Name Ethyl-2-brom-3-methylbutanoat
PubChem CID 79068
CAS 609-12-1
MDL-Nummer MFCD00026855
Molekulargewicht (g/mol) 209.083
SMILES CCOC(=O)C(C(C)C)Br
Synonym ethyl 2-bromoisovalerate,ethyl 2-bromo-3-methylbutyrate,butanoic acid, 2-bromo-3-methyl-, ethyl ester,ethyl .alpha.-bromoisovalerate,2-bromoisovaleric acid ethyl ester,butyric acid, 2-bromo-3-methyl-, ethyl ester,ethyl 2-bromo-3-methyl-butanoate,.alpha.-bromoisovaleric acid ethyl ester,ethyl,a-bromoisovalerate,ethyl 2-bromo isovalerate
Summenformel C7H13BrO2
7

Ethyltrifluoracetat, 99%, Thermo Scientific Chemicals

CAS: 383-63-1 Summenformel: C4H5F3O2 Molekulargewicht (g/mol): 142.077 MDL-Nummer: MFCD00000419 InChI-Schlüssel: STSCVKRWJPWALQ-UHFFFAOYSA-N Synonym: ethyl trifluoroacetate,trifluoroacetic acid ethyl ester,ethyltrifluoroacetate,acetic acid, trifluoro-, ethyl ester,trifluoroacetic acid, ethyl ester,ethyl trifluoroethanoate,unii-a6tzk6x11x,acetic acid, 2,2,2-trifluoro-, ethyl ester,a6tzk6x11x,ethyl ester of trifluoroacetic acid PubChem CID: 9794 IUPAC-Name: Ethyl-2,2,2-trifluoracetat SMILES: CCOC(=O)C(F)(F)F

InChI-Schlüssel STSCVKRWJPWALQ-UHFFFAOYSA-N
IUPAC-Name Ethyl-2,2,2-trifluoracetat
PubChem CID 9794
CAS 383-63-1
MDL-Nummer MFCD00000419
Molekulargewicht (g/mol) 142.077
SMILES CCOC(=O)C(F)(F)F
Synonym ethyl trifluoroacetate,trifluoroacetic acid ethyl ester,ethyltrifluoroacetate,acetic acid, trifluoro-, ethyl ester,trifluoroacetic acid, ethyl ester,ethyl trifluoroethanoate,unii-a6tzk6x11x,acetic acid, 2,2,2-trifluoro-, ethyl ester,a6tzk6x11x,ethyl ester of trifluoroacetic acid
Summenformel C4H5F3O2
8

Natriumchloracetat, 98 %, Thermo Scientific Chemicals

CAS: 3926-62-3 Summenformel: C2H2ClNaO2 Molekulargewicht (g/mol): 116.476 MDL-Nummer: MFCD00002684 InChI-Schlüssel: FDRCDNZGSXJAFP-UHFFFAOYSA-M Synonym: sodium chloroacetate,chloroacetic acid sodium salt,monoxone,acetic acid, chloro-, sodium salt,dow defoliant,sodium monochloroacetate,smca,sodium monochloracetate,caswell no. 755a,chloroctan sodny czech PubChem CID: 23665759 IUPAC-Name: Natrium;-2-chloracetat SMILES: C(C(=O)[O-])Cl.[Na+]

InChI-Schlüssel FDRCDNZGSXJAFP-UHFFFAOYSA-M
IUPAC-Name Natrium;-2-chloracetat
PubChem CID 23665759
CAS 3926-62-3
MDL-Nummer MFCD00002684
Molekulargewicht (g/mol) 116.476
SMILES C(C(=O)[O-])Cl.[Na+]
Synonym sodium chloroacetate,chloroacetic acid sodium salt,monoxone,acetic acid, chloro-, sodium salt,dow defoliant,sodium monochloroacetate,smca,sodium monochloracetate,caswell no. 755a,chloroctan sodny czech
Summenformel C2H2ClNaO2
9

Lithium-Trifluoroacetat-Monohydrat, 97 %, Thermo Scientific Chemicals

CAS: 2923-17-3 Summenformel: C2F3LiO2 Molekulargewicht (g/mol): 119.96 MDL-Nummer: MFCD00013216,MFCD00149663 InChI-Schlüssel: HSFDLPWPRRSVSM-UHFFFAOYSA-M Synonym: lithium trifluoroacetate,acetic acid, trifluoro-, lithium salt,lithium 2,2,2-trifluoroacetate,lithiumtrifluoroacetate,acmc-1cfal,lithotab trifluoroacetate,acetic acid, 2,2,2-trifluoro-, lithium salt 1:1,lithium trifluoroacetate, monohydrate,lithium 1+ trifluoroacetate,lithio 2,2,2-trifluoroacetate PubChem CID: 23661853 IUPAC-Name: Lithium;-2,2,2-trifluoracetat SMILES: [Li+].[O-]C(=O)C(F)(F)F

InChI-Schlüssel HSFDLPWPRRSVSM-UHFFFAOYSA-M
IUPAC-Name Lithium;-2,2,2-trifluoracetat
PubChem CID 23661853
CAS 2923-17-3
MDL-Nummer MFCD00013216,MFCD00149663
Molekulargewicht (g/mol) 119.96
SMILES [Li+].[O-]C(=O)C(F)(F)F
Synonym lithium trifluoroacetate,acetic acid, trifluoro-, lithium salt,lithium 2,2,2-trifluoroacetate,lithiumtrifluoroacetate,acmc-1cfal,lithotab trifluoroacetate,acetic acid, 2,2,2-trifluoro-, lithium salt 1:1,lithium trifluoroacetate, monohydrate,lithium 1+ trifluoroacetate,lithio 2,2,2-trifluoroacetate
Summenformel C2F3LiO2
10

Chloressigsäure, ACS, 99 %, Thermo Scientific Chemicals ™

CAS: 79-11-8 Summenformel: C2H3ClO2 Molekulargewicht (g/mol): 94.494 MDL-Nummer: MFCD00002683 InChI-Schlüssel: FOCAUTSVDIKZOP-UHFFFAOYSA-N Synonym: chloroacetic acid,monochloroacetic acid,chloracetic acid,acetic acid, chloro,acide chloracetique,chloroethanoic acid,monochloroethanoic acid,monochloracetic acid,monochloorazijnzuur,monochloressigsaeure PubChem CID: 300 ChEBI: CHEBI:27869 IUPAC-Name: 2-Chloressigsäure SMILES: C(C(=O)O)Cl

InChI-Schlüssel FOCAUTSVDIKZOP-UHFFFAOYSA-N
IUPAC-Name 2-Chloressigsäure
PubChem CID 300
CAS 79-11-8
ChEBI CHEBI:27869
MDL-Nummer MFCD00002683
Molekulargewicht (g/mol) 94.494
SMILES C(C(=O)O)Cl
Synonym chloroacetic acid,monochloroacetic acid,chloracetic acid,acetic acid, chloro,acide chloracetique,chloroethanoic acid,monochloroethanoic acid,monochloracetic acid,monochloorazijnzuur,monochloressigsaeure
Summenformel C2H3ClO2
11

Dimethylbromomalonat, 90 %, tech., Thermo Scientific Chemicals

CAS: 868-26-8 Summenformel: C5H7BrO4 Molekulargewicht (g/mol): 211.02 MDL-Nummer: MFCD00025865 InChI-Schlüssel: NEMOJKROKMMQBQ-UHFFFAOYSA-N Synonym: dimethyl bromomalonate,dimethyl 2-bromomalonate,dimethylbromomalonate,propanedioic acid, bromo-, dimethyl ester,2-bromo dimethyl malonate,1,3-dimethyl 2-bromopropanedioate,dimethylbromomalo-nate,acmc-209qbk,dimethyl-2-bromomalonate,dimethyl 2-bromomalonate # PubChem CID: 70087 IUPAC-Name: Dimethyl-2-brompropandioat SMILES: COC(=O)C(C(=O)OC)Br

InChI-Schlüssel NEMOJKROKMMQBQ-UHFFFAOYSA-N
IUPAC-Name Dimethyl-2-brompropandioat
PubChem CID 70087
CAS 868-26-8
MDL-Nummer MFCD00025865
Molekulargewicht (g/mol) 211.02
SMILES COC(=O)C(C(=O)OC)Br
Synonym dimethyl bromomalonate,dimethyl 2-bromomalonate,dimethylbromomalonate,propanedioic acid, bromo-, dimethyl ester,2-bromo dimethyl malonate,1,3-dimethyl 2-bromopropanedioate,dimethylbromomalo-nate,acmc-209qbk,dimethyl-2-bromomalonate,dimethyl 2-bromomalonate #
Summenformel C5H7BrO4
12

Chloressigsäure-Natriumsalz, 98%

CAS: 3926-62-3 Summenformel: C2H2ClNaO2 Molekulargewicht (g/mol): 116.48 MDL-Nummer: MFCD00002684 InChI-Schlüssel: FDRCDNZGSXJAFP-UHFFFAOYSA-M Synonym: sodium chloroacetate,chloroacetic acid sodium salt,monoxone,acetic acid, chloro-, sodium salt,dow defoliant,sodium monochloroacetate,smca,sodium monochloracetate,caswell no. 755a,chloroctan sodny czech PubChem CID: 23665759 IUPAC-Name: Natrium;-2-chloracetat SMILES: C(C(=O)[O-])Cl.[Na+]

InChI-Schlüssel FDRCDNZGSXJAFP-UHFFFAOYSA-M
IUPAC-Name Natrium;-2-chloracetat
PubChem CID 23665759
CAS 3926-62-3
MDL-Nummer MFCD00002684
Molekulargewicht (g/mol) 116.48
SMILES C(C(=O)[O-])Cl.[Na+]
Synonym sodium chloroacetate,chloroacetic acid sodium salt,monoxone,acetic acid, chloro-, sodium salt,dow defoliant,sodium monochloroacetate,smca,sodium monochloracetate,caswell no. 755a,chloroctan sodny czech
Summenformel C2H2ClNaO2
13

Ethyliodacetat, 98 %, Thermo Scientific Chemicals

CAS: 623-48-3 Summenformel: C4H7IO2 Molekulargewicht (g/mol): 214.00 MDL-Nummer: MFCD00001081 InChI-Schlüssel: MFFXVVHUKRKXCI-UHFFFAOYSA-N Synonym: ethyl iodoacetate,acetic acid, iodo-, ethyl ester,ethyl monoiodoacetate,iodoacetic acid, ethyl ester,acetic acid, 2-iodo-, ethyl ester,ethylester kyseliny jodoctove czech,acetic acid, 2-iodo-,ethyl ester,ethylester kyseliny jodoctove,ethyliodoacetate,iodoacetic acid ethyl PubChem CID: 12183 IUPAC-Name: Ethyl-2-iodacetat SMILES: CCOC(=O)CI

InChI-Schlüssel MFFXVVHUKRKXCI-UHFFFAOYSA-N
IUPAC-Name Ethyl-2-iodacetat
PubChem CID 12183
CAS 623-48-3
MDL-Nummer MFCD00001081
Molekulargewicht (g/mol) 214.00
SMILES CCOC(=O)CI
Synonym ethyl iodoacetate,acetic acid, iodo-, ethyl ester,ethyl monoiodoacetate,iodoacetic acid, ethyl ester,acetic acid, 2-iodo-, ethyl ester,ethylester kyseliny jodoctove czech,acetic acid, 2-iodo-,ethyl ester,ethylester kyseliny jodoctove,ethyliodoacetate,iodoacetic acid ethyl
Summenformel C4H7IO2
14

Trifluoressigsäureanhydrid, +99 %, Thermo Scientific Chemicals

CAS: 407-25-0 Summenformel: C4F6O3 Molekulargewicht (g/mol): 210.03 MDL-Nummer: MFCD00000416 InChI-Schlüssel: QAEDZJGFFMLHHQ-UHFFFAOYSA-N Synonym: trifluoroacetic anhydride,trifluoroacetic acid anhydride,2,2,2-trifluoroacetic anhydride,bis trifluoroacetic anhydride,acetic acid, trifluoro-, anhydride,perfluoroacetic anhydride,trifluoroacetyl anhydride,tfaa,hexafluoroacetic anhydride,anhydrid kyseliny trifluoroctove PubChem CID: 9845 SMILES: FC(F)(F)C(=O)OC(=O)C(F)(F)F

InChI-Schlüssel QAEDZJGFFMLHHQ-UHFFFAOYSA-N
PubChem CID 9845
CAS 407-25-0
MDL-Nummer MFCD00000416
Molekulargewicht (g/mol) 210.03
SMILES FC(F)(F)C(=O)OC(=O)C(F)(F)F
Synonym trifluoroacetic anhydride,trifluoroacetic acid anhydride,2,2,2-trifluoroacetic anhydride,bis trifluoroacetic anhydride,acetic acid, trifluoro-, anhydride,perfluoroacetic anhydride,trifluoroacetyl anhydride,tfaa,hexafluoroacetic anhydride,anhydrid kyseliny trifluoroctove
Summenformel C4F6O3
15

(S)-(-)-2-Brompropionsäure, 98 %, >85 % e.e., Thermo Scientific Chemicals

CAS: 32644-15-8 Summenformel: C3H5BrO2 Molekulargewicht (g/mol): 152.98 MDL-Nummer: MFCD00137325 InChI-Schlüssel: MONMFXREYOKQTI-REOHCLBHSA-N Synonym: s---2-bromopropionic acid,s-2-bromopropionic acid,2s-2-bromopropanoic acid,s-2-bromopropanoic acid,l-2-bromopropionic acid,s---2-bromopropionicacid,l-alpha-bromopropionic acid,2s---2-bromopropionic acid,s-alpha-bromopropionic acid PubChem CID: 642232 IUPAC-Name: (2S)-2-Brompropansäure SMILES: CC(C(=O)O)Br

InChI-Schlüssel MONMFXREYOKQTI-REOHCLBHSA-N
IUPAC-Name (2S)-2-Brompropansäure
PubChem CID 642232
CAS 32644-15-8
MDL-Nummer MFCD00137325
Molekulargewicht (g/mol) 152.98
SMILES CC(C(=O)O)Br
Synonym s---2-bromopropionic acid,s-2-bromopropionic acid,2s-2-bromopropanoic acid,s-2-bromopropanoic acid,l-2-bromopropionic acid,s---2-bromopropionicacid,l-alpha-bromopropionic acid,2s---2-bromopropionic acid,s-alpha-bromopropionic acid
Summenformel C3H5BrO2