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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

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
2

alpha,alpha-Difluorphenylessigsäure, 99 %, Thermo Scientific Chemicals

CAS: 360-03-2 Summenformel: C8H6F2O2 Molekulargewicht (g/mol): 172.131 MDL-Nummer: MFCD00498146 InChI-Schlüssel: PFKSLFZFBCIJOI-UHFFFAOYSA-N PubChem CID: 726153 IUPAC-Name: 2,2-Difluor-2-phenylessigsäure SMILES: C1=CC=C(C=C1)C(C(=O)O)(F)F

InChI-Schlüssel PFKSLFZFBCIJOI-UHFFFAOYSA-N
IUPAC-Name 2,2-Difluor-2-phenylessigsäure
PubChem CID 726153
CAS 360-03-2
MDL-Nummer MFCD00498146
Molekulargewicht (g/mol) 172.131
SMILES C1=CC=C(C=C1)C(C(=O)O)(F)F
Summenformel C8H6F2O2
3

Iodessigsäure, Natriumsalz, 99 %, Thermo Scientific Chemicals

CAS: 305-53-3 Summenformel: C2H2INaO2 Molekulargewicht (g/mol): 207.93 MDL-Nummer: MFCD00002686 InChI-Schlüssel: AGDSCTQQXMDDCV-UHFFFAOYSA-M Synonym: sodium iodoacetate,iodoacetic acid sodium salt,acetic acid, iodo-, sodium salt,sodium 2-iodoacetate,sodium monoiodoacetate,iodoacetate, sodium salt,sodium iodacetate,iodoacetic acid, sodium salt,unii-07814f2qri,ccris 9232 PubChem CID: 5239 IUPAC-Name: Natrium;-2-iodacetat SMILES: C(C(=O)[O-])I.[Na+]

InChI-Schlüssel AGDSCTQQXMDDCV-UHFFFAOYSA-M
IUPAC-Name Natrium;-2-iodacetat
PubChem CID 5239
CAS 305-53-3
MDL-Nummer MFCD00002686
Molekulargewicht (g/mol) 207.93
SMILES C(C(=O)[O-])I.[Na+]
Synonym sodium iodoacetate,iodoacetic acid sodium salt,acetic acid, iodo-, sodium salt,sodium 2-iodoacetate,sodium monoiodoacetate,iodoacetate, sodium salt,sodium iodacetate,iodoacetic acid, sodium salt,unii-07814f2qri,ccris 9232
Summenformel C2H2INaO2
4

Ethylbromdifluoracetat, 97 %, Thermo Scientific Chemicals

CAS: 667-27-6 Summenformel: C4H5BrF2O2 Molekulargewicht (g/mol): 202.983 MDL-Nummer: MFCD00042069 InChI-Schlüssel: IRSJDVYTJUCXRV-UHFFFAOYSA-N Synonym: ethyl bromodifluoroacetate,ethylbromodifluoroacetate,bromodifluoroacetic acid ethyl ester,acetic acid, bromodifluoro-, ethyl ester,ethyl difluorobromoacetate,ethyl 2-bromo-2,2-difluoro-acetate,2-bromo-2,2-difluoro-1-ethoxyethan-1-one,2-bromo-2,2-difluoro-1-ethoxy-1-oxoethane,ethylbrom difluor acetat,pubchem16953 PubChem CID: 69585 IUPAC-Name: Ethyl-2-brom-2,2-difluoracetat SMILES: CCOC(=O)C(F)(F)Br

InChI-Schlüssel IRSJDVYTJUCXRV-UHFFFAOYSA-N
IUPAC-Name Ethyl-2-brom-2,2-difluoracetat
PubChem CID 69585
CAS 667-27-6
MDL-Nummer MFCD00042069
Molekulargewicht (g/mol) 202.983
SMILES CCOC(=O)C(F)(F)Br
Synonym ethyl bromodifluoroacetate,ethylbromodifluoroacetate,bromodifluoroacetic acid ethyl ester,acetic acid, bromodifluoro-, ethyl ester,ethyl difluorobromoacetate,ethyl 2-bromo-2,2-difluoro-acetate,2-bromo-2,2-difluoro-1-ethoxyethan-1-one,2-bromo-2,2-difluoro-1-ethoxy-1-oxoethane,ethylbrom difluor acetat,pubchem16953
Summenformel C4H5BrF2O2
5

Ethylhexafluorglutarylchlorid, 97 %, Thermo Scientific Chemicals

CAS: 18381-53-8 Summenformel: C7H5ClF6O3 Molekulargewicht (g/mol): 286.55 MDL-Nummer: MFCD00054671 InChI-Schlüssel: OLRXGDHRDQKNGW-UHFFFAOYSA-N PubChem CID: 161251 IUPAC-Name: Ethyl-5-chlor-2,2,3,3,4,4-hexafluor-5-oxopentanoat SMILES: CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(Cl)=O

InChI-Schlüssel OLRXGDHRDQKNGW-UHFFFAOYSA-N
IUPAC-Name Ethyl-5-chlor-2,2,3,3,4,4-hexafluor-5-oxopentanoat
PubChem CID 161251
CAS 18381-53-8
MDL-Nummer MFCD00054671
Molekulargewicht (g/mol) 286.55
SMILES CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(Cl)=O
Summenformel C7H5ClF6O3
6

2-Bromacrylsäure, 95 %, Thermo Scientific Chemicals

CAS: 10443-65-9 Summenformel: C3H3BrO2 Molekulargewicht (g/mol): 150.96 MDL-Nummer: MFCD00014333 InChI-Schlüssel: HMENQNSSJFLQOP-UHFFFAOYSA-N Synonym: 2-bromoacrylic acid,bromoacrylic acid,ccris 5478,.alpha.-bromoacrylic acid,2-bromo-acrylic acid,alpha-bromo acrylic acid,2-propenoic acid, bromo,acmc-1c0k4,2-propenoic acid, 2-bromo PubChem CID: 82633 IUPAC-Name: 2-Bromprop-2-ensäure SMILES: OC(=O)C(Br)=C

InChI-Schlüssel HMENQNSSJFLQOP-UHFFFAOYSA-N
IUPAC-Name 2-Bromprop-2-ensäure
PubChem CID 82633
CAS 10443-65-9
MDL-Nummer MFCD00014333
Molekulargewicht (g/mol) 150.96
SMILES OC(=O)C(Br)=C
Synonym 2-bromoacrylic acid,bromoacrylic acid,ccris 5478,.alpha.-bromoacrylic acid,2-bromo-acrylic acid,alpha-bromo acrylic acid,2-propenoic acid, bromo,acmc-1c0k4,2-propenoic acid, 2-bromo
Summenformel C3H3BrO2
7
Sonderaktionen verfügbar

Difluoressigsäure, 98 %, Thermo Scientific Chemicals

CAS: 381-73-7 Summenformel: C2H2F2O2 Molekulargewicht (g/mol): 96.03 MDL-Nummer: MFCD00004220 InChI-Schlüssel: PBWZKZYHONABLN-UHFFFAOYSA-N Synonym: difluoroacetic acid,acetic acid, difluoro,difluoressigsaeure,1,1-difluoroacetic acid,unii-zqk1c95k3n,zqk1c95k3n,acetic acid, 2,2-difluoro,difluoroaceticacid,difluoracetic acid,difluoro-acetic acid PubChem CID: 9788 ChEBI: CHEBI:23716 IUPAC-Name: 2,2-Difluoressigsäure SMILES: C(C(=O)O)(F)F

InChI-Schlüssel PBWZKZYHONABLN-UHFFFAOYSA-N
IUPAC-Name 2,2-Difluoressigsäure
PubChem CID 9788
CAS 381-73-7
ChEBI CHEBI:23716
MDL-Nummer MFCD00004220
Molekulargewicht (g/mol) 96.03
SMILES C(C(=O)O)(F)F
Synonym difluoroacetic acid,acetic acid, difluoro,difluoressigsaeure,1,1-difluoroacetic acid,unii-zqk1c95k3n,zqk1c95k3n,acetic acid, 2,2-difluoro,difluoroaceticacid,difluoracetic acid,difluoro-acetic acid
Summenformel C2H2F2O2
8

Cyclohexyl 2-Chloroacetat, 97 %, Thermo Scientific™

CAS: 6975-91-3 Summenformel: C8H13ClO2 Molekulargewicht (g/mol): 176.64 MDL-Nummer: MFCD00084989 InChI-Schlüssel: IBFHBLOKQVCABG-UHFFFAOYSA-N Synonym: cyclohexyl chloroacetate,cyclohexyl chloroacetate #,1-chloroacetyl oxy cyclohexane,chloroacetic acid cyclohexyl ester,chloroacetic acid, cyclohexyl ester,acetic acid, 2-chloro-, cyclohexyl ester PubChem CID: 228008 IUPAC-Name: Cyclohexyl-2-chloracetat SMILES: C1CCC(CC1)OC(=O)CCl

InChI-Schlüssel IBFHBLOKQVCABG-UHFFFAOYSA-N
IUPAC-Name Cyclohexyl-2-chloracetat
PubChem CID 228008
CAS 6975-91-3
MDL-Nummer MFCD00084989
Molekulargewicht (g/mol) 176.64
SMILES C1CCC(CC1)OC(=O)CCl
Synonym cyclohexyl chloroacetate,cyclohexyl chloroacetate #,1-chloroacetyl oxy cyclohexane,chloroacetic acid cyclohexyl ester,chloroacetic acid, cyclohexyl ester,acetic acid, 2-chloro-, cyclohexyl ester
Summenformel C8H13ClO2
9

(+/-)-2-Chlorpropionsäure, 94 %, Thermo Scientific Chemicals

CAS: 598-78-7 Summenformel: C3H5ClO2 Molekulargewicht (g/mol): 108.52 MDL-Nummer: MFCD00004224 InChI-Schlüssel: GAWAYYRQGQZKCR-UHFFFAOYNA-N Synonym: 2-chloropropionic acid,propanoic acid, 2-chloro,propionic acid, 2-chloro,alpha-chloropropionic acid,alpha-monochloropropionic acid,propionic acid, alpha-chloro,.alpha.-chloropropionic acid,propionic acid, .alpha.-chloro,chloropropionic acid,propanoic acid, chloro PubChem CID: 11734 IUPAC-Name: 2-Chlorpropansäure SMILES: CC(Cl)C(O)=O

InChI-Schlüssel GAWAYYRQGQZKCR-UHFFFAOYNA-N
IUPAC-Name 2-Chlorpropansäure
PubChem CID 11734
CAS 598-78-7
MDL-Nummer MFCD00004224
Molekulargewicht (g/mol) 108.52
SMILES CC(Cl)C(O)=O
Synonym 2-chloropropionic acid,propanoic acid, 2-chloro,propionic acid, 2-chloro,alpha-chloropropionic acid,alpha-monochloropropionic acid,propionic acid, alpha-chloro,.alpha.-chloropropionic acid,propionic acid, .alpha.-chloro,chloropropionic acid,propanoic acid, chloro
Summenformel C3H5ClO2
10

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
11

Palladium(II)-Trifluoracetamid, 97 %, Thermo Scientific Chemicals

CAS: 42196-31-6 Summenformel: C4F6O4Pd Molekulargewicht (g/mol): 332.45 MDL-Nummer: MFCD00013204 InChI-Schlüssel: PBDBXAQKXCXZCJ-UHFFFAOYSA-L Synonym: palladium ii trifluoroacetate,palladium ii 2,2,2-trifluoroacetate,palladium 2+ ion ditrifluoroacetate,palladium trifluoroacetate,palladium 2+ ditrifluoroacetate,trifluoroacetic acid palladium ii salt,bis 2,2,2-trifluoroacetoxy palladium,acmc-209jo7,ksc235m3d PubChem CID: 2733347 IUPAC-Name: palladium(2+) ditrifluoroacetate SMILES: [Pd++].[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F

InChI-Schlüssel PBDBXAQKXCXZCJ-UHFFFAOYSA-L
IUPAC-Name palladium(2+) ditrifluoroacetate
PubChem CID 2733347
CAS 42196-31-6
MDL-Nummer MFCD00013204
Molekulargewicht (g/mol) 332.45
SMILES [Pd++].[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F
Synonym palladium ii trifluoroacetate,palladium ii 2,2,2-trifluoroacetate,palladium 2+ ion ditrifluoroacetate,palladium trifluoroacetate,palladium 2+ ditrifluoroacetate,trifluoroacetic acid palladium ii salt,bis 2,2,2-trifluoroacetoxy palladium,acmc-209jo7,ksc235m3d
Summenformel C4F6O4Pd
12

2-Chlor-2-Ethoxyessigsäureethylester, 90 %, Rest hauptsächlich Ethyldioxyacetat, Thermo Scientific Chemicals

CAS: 34006-60-5 Summenformel: C6H11ClO3 Molekulargewicht (g/mol): 166.60 MDL-Nummer: MFCD00043953 InChI-Schlüssel: WDCHMODANTVRTF-UHFFFAOYNA-N Synonym: 2-chloro-2-ethoxyacetic acid ethyl ester,ethyl 2-chloro-2-ethoxy-acetate,ethyl2-chloro-2-ethoxyacetate,ethyl chloro ethoxy acetate,chloro ethoxy acetic acid ethyl ester,ethyl alpha-chloro-alpha-ethoxyacetate,ethyl alpha-chloro-alpha-ethoxy-acetate,2-chloro-2-ethoxy-acetic acid ethyl ester,acetic acid,2-chloro-2-ethoxy-, ethyl ester PubChem CID: 2724873 IUPAC-Name: Ethyl-2-(1-chlorethoxy)acetat SMILES: CCOC(=O)COC(C)Cl

InChI-Schlüssel WDCHMODANTVRTF-UHFFFAOYNA-N
IUPAC-Name Ethyl-2-(1-chlorethoxy)acetat
PubChem CID 2724873
CAS 34006-60-5
MDL-Nummer MFCD00043953
Molekulargewicht (g/mol) 166.60
SMILES CCOC(=O)COC(C)Cl
Synonym 2-chloro-2-ethoxyacetic acid ethyl ester,ethyl 2-chloro-2-ethoxy-acetate,ethyl2-chloro-2-ethoxyacetate,ethyl chloro ethoxy acetate,chloro ethoxy acetic acid ethyl ester,ethyl alpha-chloro-alpha-ethoxyacetate,ethyl alpha-chloro-alpha-ethoxy-acetate,2-chloro-2-ethoxy-acetic acid ethyl ester,acetic acid,2-chloro-2-ethoxy-, ethyl ester
Summenformel C6H11ClO3
13

Chlordifluoressigsäure Natriumsalz 96 %, Thermo Scientific Chemicals

CAS: 1895-39-2 Summenformel: C2ClF2NaO2 Molekulargewicht (g/mol): 152.46 MDL-Nummer: MFCD00064771 InChI-Schlüssel: MRTAVLDNYYEJHK-UHFFFAOYSA-M Synonym: sodium chlorodifluoroacetate,sodium 2-chloro-2,2-difluoroacetate,chlorodifluoroacetic acid sodium salt,sodium chloro difluoro acetate,acetic acid, chlorodifluoro-, sodium salt,sodiumchlorodifluoroacetate,difluorochloroacetic acid sodium salt,sodium difluorochloroacetate,chlorodifluoroacetic acid sodium PubChem CID: 2734985 IUPAC-Name: Natrium;-2-chlor-2,2-difluoracetat SMILES: C(=O)(C(F)(F)Cl)[O-].[Na+]

InChI-Schlüssel MRTAVLDNYYEJHK-UHFFFAOYSA-M
IUPAC-Name Natrium;-2-chlor-2,2-difluoracetat
PubChem CID 2734985
CAS 1895-39-2
MDL-Nummer MFCD00064771
Molekulargewicht (g/mol) 152.46
SMILES C(=O)(C(F)(F)Cl)[O-].[Na+]
Synonym sodium chlorodifluoroacetate,sodium 2-chloro-2,2-difluoroacetate,chlorodifluoroacetic acid sodium salt,sodium chloro difluoro acetate,acetic acid, chlorodifluoro-, sodium salt,sodiumchlorodifluoroacetate,difluorochloroacetic acid sodium salt,sodium difluorochloroacetate,chlorodifluoroacetic acid sodium
Summenformel C2ClF2NaO2
14

Isopropyl2-Brom-2 -Methylpropanoat, 97 %, Thermo Scientific™

CAS: 51368-55-9 Summenformel: C7H13BrO2 Molekulargewicht (g/mol): 209.08 MDL-Nummer: MFCD00055235 InChI-Schlüssel: UNZJYKKJZGIFCG-UHFFFAOYSA-N Synonym: isopropyl 2-bromo-2-methylpropanoate,isopropyl 2-bromo-2-methylpropionate,2-bromo-2-methylpropionic acid isopropyl ester,isopropyl 2-bromoisobutyrate,propanoic acid, 2-bromo-2-methyl-, 1-methylethyl ester,isopropyl 2-bromo-2-methyl-propanoate,methylethyl 2-bromo-2-methylpropanoate,2-bromo-iso-butyric acid isopropyl ester,propan-2-yl 2-bromanyl-2-methyl-propanoate,2-bromoisobutyric acid isopropyl ester PubChem CID: 2796293 IUPAC-Name: propan-2-yl 2-bromo-2-methylpropanoate SMILES: CC(C)OC(=O)C(C)(C)Br

InChI-Schlüssel UNZJYKKJZGIFCG-UHFFFAOYSA-N
IUPAC-Name propan-2-yl 2-bromo-2-methylpropanoate
PubChem CID 2796293
CAS 51368-55-9
MDL-Nummer MFCD00055235
Molekulargewicht (g/mol) 209.08
SMILES CC(C)OC(=O)C(C)(C)Br
Synonym isopropyl 2-bromo-2-methylpropanoate,isopropyl 2-bromo-2-methylpropionate,2-bromo-2-methylpropionic acid isopropyl ester,isopropyl 2-bromoisobutyrate,propanoic acid, 2-bromo-2-methyl-, 1-methylethyl ester,isopropyl 2-bromo-2-methyl-propanoate,methylethyl 2-bromo-2-methylpropanoate,2-bromo-iso-butyric acid isopropyl ester,propan-2-yl 2-bromanyl-2-methyl-propanoate,2-bromoisobutyric acid isopropyl ester
Summenformel C7H13BrO2
15

Bromoessigsäureanhydrid, 95 %, Thermo Scientific Chemicals

CAS: 13094-51-4 Summenformel: C4H4Br2O3 Molekulargewicht (g/mol): 259.87 MDL-Nummer: MFCD00045041 InChI-Schlüssel: FUKOTTQGWQVMQB-UHFFFAOYSA-N Synonym: bromoacetic anhydride,2-bromoacetic anhydride,acetic acid, 2-bromo-,1,1'-anhydride,2-bromoacetyl 2-bromoacetate,bromoaceticanhydride,acetic acid, bromo-, anhydride PubChem CID: 4259817 IUPAC-Name: (2-Bromacetyl)-2-bromacetat SMILES: C(C(=O)OC(=O)CBr)Br

InChI-Schlüssel FUKOTTQGWQVMQB-UHFFFAOYSA-N
IUPAC-Name (2-Bromacetyl)-2-bromacetat
PubChem CID 4259817
CAS 13094-51-4
MDL-Nummer MFCD00045041
Molekulargewicht (g/mol) 259.87
SMILES C(C(=O)OC(=O)CBr)Br
Synonym bromoacetic anhydride,2-bromoacetic anhydride,acetic acid, 2-bromo-,1,1'-anhydride,2-bromoacetyl 2-bromoacetate,bromoaceticanhydride,acetic acid, bromo-, anhydride
Summenformel C4H4Br2O3