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Phthalsäure und Derivate

Organische Verbindungen, die aus Benzoesäure mit einer zusätzlichen Carbonsäuresubstitution bestehen, beide Gruppen befinden sich in benachbarten Kohlenstoffatomen; dazu gehören Verbindungen, die direkt aus Phthalsäure gewonnen werden.

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1

Methyl-Wasserstoff-Isophthalat, 97 %, Thermo Scientific Chemicals

CAS: 1877-71-0 Summenformel: C9H8O4 Molekulargewicht (g/mol): 180.159 MDL-Nummer: MFCD00029972 InChI-Schlüssel: WMZNGTSLFSJHMZ-UHFFFAOYSA-N Synonym: 3-methoxycarbonyl benzoic acid,mono-methyl isophthalate,methyl hydrogen isophthalate,isophthalic acid monomethyl ester,monomethyl isophthalate,isophthalic acid methyl ester,isophthalic acid, methyl ester,isophthalic acid, monomethyl ester,methyl m-phthalate,methyl 3-carboxybenzoate PubChem CID: 601880 IUPAC-Name: 3-Methoxycarbonylbenzoesäure SMILES: COC(=O)C1=CC=CC(=C1)C(=O)O

InChI-Schlüssel WMZNGTSLFSJHMZ-UHFFFAOYSA-N
IUPAC-Name 3-Methoxycarbonylbenzoesäure
PubChem CID 601880
CAS 1877-71-0
MDL-Nummer MFCD00029972
Molekulargewicht (g/mol) 180.159
SMILES COC(=O)C1=CC=CC(=C1)C(=O)O
Synonym 3-methoxycarbonyl benzoic acid,mono-methyl isophthalate,methyl hydrogen isophthalate,isophthalic acid monomethyl ester,monomethyl isophthalate,isophthalic acid methyl ester,isophthalic acid, methyl ester,isophthalic acid, monomethyl ester,methyl m-phthalate,methyl 3-carboxybenzoate
Summenformel C9H8O4
2

Thermo Scientific Chemicals 6-Carboxyfluorescein, 96 %

CAS: 3301-79-9 Summenformel: C21H12O7 Molekulargewicht (g/mol): 376.32 MDL-Nummer: MFCD00036873 InChI-Schlüssel: BZTDTCNHAFUJOG-UHFFFAOYSA-N Synonym: 6-carboxyfluorescein,6-fam,carboxyfluorescein,spiro isobenzofuran-1 3h ,9'-9h xanthene-6-carboxylic acid, 3',6'-dihydroxy-3-oxo,3,6,9-trihydroxyxanthen-9-yl terephthalic acid,3',6'-dihydroxy-3-oxo-3h-spiro 2-benzofuran-1,9'-xanthene-6-carboxylic acid,3',6'-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9'-xanthene-6-carboxylic acid,5 6-carboxy fluorescein,bidd:gt0504 PubChem CID: 76806 ChEBI: CHEBI:39073 IUPAC-Name: 3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthen]-5-carbonsäure SMILES: C1=CC2=C(C=C1C(=O)O)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O

InChI-Schlüssel BZTDTCNHAFUJOG-UHFFFAOYSA-N
IUPAC-Name 3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthen]-5-carbonsäure
PubChem CID 76806
CAS 3301-79-9
ChEBI CHEBI:39073
MDL-Nummer MFCD00036873
Molekulargewicht (g/mol) 376.32
SMILES C1=CC2=C(C=C1C(=O)O)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O
Synonym 6-carboxyfluorescein,6-fam,carboxyfluorescein,spiro isobenzofuran-1 3h ,9'-9h xanthene-6-carboxylic acid, 3',6'-dihydroxy-3-oxo,3,6,9-trihydroxyxanthen-9-yl terephthalic acid,3',6'-dihydroxy-3-oxo-3h-spiro 2-benzofuran-1,9'-xanthene-6-carboxylic acid,3',6'-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9'-xanthene-6-carboxylic acid,5 6-carboxy fluorescein,bidd:gt0504
Summenformel C21H12O7
3

Mono-Methyleterephthalat, 97 %, Thermo Scientific Chemicals

CAS: 1679-64-7 Summenformel: C9H8O4 Molekulargewicht (g/mol): 180.16 MDL-Nummer: MFCD00002557 InChI-Schlüssel: REIDAMBAPLIATC-UHFFFAOYSA-N Synonym: 4-methoxycarbonyl benzoic acid,mono-methyl terephthalate,monomethyl terephthalate,methyl terephthalate,methyl hydrogen terephthalate,1,4-benzenedicarboxylic acid, monomethyl ester,terephthalic acid monomethyl ester,1,4-benzenedicarboxylic acid monomethyl ester,terephthalic acid, monomethyl ester,hydrogen methyl terephthalate PubChem CID: 15513 IUPAC-Name: 4-Methoxycarbonylbenzoesäure SMILES: COC(=O)C1=CC=C(C=C1)C(=O)O

InChI-Schlüssel REIDAMBAPLIATC-UHFFFAOYSA-N
IUPAC-Name 4-Methoxycarbonylbenzoesäure
PubChem CID 15513
CAS 1679-64-7
MDL-Nummer MFCD00002557
Molekulargewicht (g/mol) 180.16
SMILES COC(=O)C1=CC=C(C=C1)C(=O)O
Synonym 4-methoxycarbonyl benzoic acid,mono-methyl terephthalate,monomethyl terephthalate,methyl terephthalate,methyl hydrogen terephthalate,1,4-benzenedicarboxylic acid, monomethyl ester,terephthalic acid monomethyl ester,1,4-benzenedicarboxylic acid monomethyl ester,terephthalic acid, monomethyl ester,hydrogen methyl terephthalate
Summenformel C9H8O4
4

2-Bromterephthalsäure 95 %, Thermo Scientific Chemicals

CAS: 586-35-6 Summenformel: C8H5BrO4 Molekulargewicht (g/mol): 245.03 MDL-Nummer: MFCD00002403 InChI-Schlüssel: QPBGNSFASPVGTP-UHFFFAOYSA-N Synonym: bromoterephthalic acid,2-bromobenzene-1,4-dicarboxylic acid,2-bromoterephthalicacid,2-bromo-terephthalic acid,2-bromo-1,4-benzenedicarboxylic acid,1,4-benzenedicarboxylic acid, 2-bromo,labotest-bb lt00454996,pubchem12798,2-bromo terephthalic acid,acmc-1aoy9 PubChem CID: 68513 IUPAC-Name: 2-Bromterephthalsäure SMILES: C1=CC(=C(C=C1C(=O)O)Br)C(=O)O

InChI-Schlüssel QPBGNSFASPVGTP-UHFFFAOYSA-N
IUPAC-Name 2-Bromterephthalsäure
PubChem CID 68513
CAS 586-35-6
MDL-Nummer MFCD00002403
Molekulargewicht (g/mol) 245.03
SMILES C1=CC(=C(C=C1C(=O)O)Br)C(=O)O
Synonym bromoterephthalic acid,2-bromobenzene-1,4-dicarboxylic acid,2-bromoterephthalicacid,2-bromo-terephthalic acid,2-bromo-1,4-benzenedicarboxylic acid,1,4-benzenedicarboxylic acid, 2-bromo,labotest-bb lt00454996,pubchem12798,2-bromo terephthalic acid,acmc-1aoy9
Summenformel C8H5BrO4
5

Methyl2-amino-3-carboxybenzoat, 97 %, Thermo Scientific™

CAS: 253120-47-7 Summenformel: C9H9NO4 Molekulargewicht (g/mol): 195.17 MDL-Nummer: MFCD06200897 InChI-Schlüssel: UXQCFHRNRAGKOY-UHFFFAOYSA-N PubChem CID: 2794812 IUPAC-Name: 2-Amino-3-methoxycarbonylbenzoesäure SMILES: COC(=O)C1=CC=CC(C(O)=O)=C1N

InChI-Schlüssel UXQCFHRNRAGKOY-UHFFFAOYSA-N
IUPAC-Name 2-Amino-3-methoxycarbonylbenzoesäure
PubChem CID 2794812
CAS 253120-47-7
MDL-Nummer MFCD06200897
Molekulargewicht (g/mol) 195.17
SMILES COC(=O)C1=CC=CC(C(O)=O)=C1N
Summenformel C9H9NO4
7

Dimethyl 5-Hydroxyisophthalat, 99 %, Thermo Scientific Chemicals

CAS: 13036-02-7 Summenformel: C10H10O5 Molekulargewicht (g/mol): 210.19 MDL-Nummer: MFCD00134367 InChI-Schlüssel: DOSDTCPDBPRFHQ-UHFFFAOYSA-N PubChem CID: 83065 SMILES: COC(=O)C1=CC(=CC(O)=C1)C(=O)OC

InChI-Schlüssel DOSDTCPDBPRFHQ-UHFFFAOYSA-N
PubChem CID 83065
CAS 13036-02-7
MDL-Nummer MFCD00134367
Molekulargewicht (g/mol) 210.19
SMILES COC(=O)C1=CC(=CC(O)=C1)C(=O)OC
Summenformel C10H10O5
8

Aminoterephthalsäuredimethylester, 99 %, Thermo Scientific Chemicals

CAS: 5372-81-6 Summenformel: C10H11NO4 Molekulargewicht (g/mol): 209.2 MDL-Nummer: MFCD00008427 InChI-Schlüssel: DSSKDXUDARIMTR-UHFFFAOYSA-N Synonym: dimethyl 2-aminoterephthalate,dimethyl aminoterephthalate,dimethyl 3-aminoterephthalate,1,4-benzenedicarboxylic acid, 2-amino-, dimethyl ester,aminoterephthalic acid dimethyl ester,1,4-dimethyl 2-aminobenzene-1,4-dicarboxylate,unii-91sf4e6i9w,2-aminoterephthalic acid, dimethyl ester,3-amino-4-methoxycarbonylbenzoic acid, methyl ester,terephthalic acid, amino-, dimethyl ester PubChem CID: 79336 IUPAC-Name: Dimethyl2-Aminobenzol-1,4-Dicarboxylat SMILES: COC(=O)C1=CC(=C(C=C1)C(=O)OC)N

InChI-Schlüssel DSSKDXUDARIMTR-UHFFFAOYSA-N
IUPAC-Name Dimethyl2-Aminobenzol-1,4-Dicarboxylat
PubChem CID 79336
CAS 5372-81-6
MDL-Nummer MFCD00008427
Molekulargewicht (g/mol) 209.2
SMILES COC(=O)C1=CC(=C(C=C1)C(=O)OC)N
Synonym dimethyl 2-aminoterephthalate,dimethyl aminoterephthalate,dimethyl 3-aminoterephthalate,1,4-benzenedicarboxylic acid, 2-amino-, dimethyl ester,aminoterephthalic acid dimethyl ester,1,4-dimethyl 2-aminobenzene-1,4-dicarboxylate,unii-91sf4e6i9w,2-aminoterephthalic acid, dimethyl ester,3-amino-4-methoxycarbonylbenzoic acid, methyl ester,terephthalic acid, amino-, dimethyl ester
Summenformel C10H11NO4
9
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Thermo Scientific Chemicals 5(6)-Carboxyfluorescein, 99 %

CAS: 72088-94-9 Summenformel: C42H24O14 Molekulargewicht (g/mol): 752.64 MDL-Nummer: MFCD00151081 InChI-Schlüssel: BPVHBBXCESDRKW-UHFFFAOYSA-N Synonym: 5 6-fam,3',6'-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9'-xanthene-5-carboxylic acid compound with 3',6'-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9'-xanthene-6-carboxylic acid 1:1,5-and-6-fam,5-and-6-carboxyfluorescein,5-carboxyfluorescein; carboxyfluorescein,5 6-carboxyfluorescein, dye content 90 %,5 6-carboxyfluorescein; carboxyfluorescein,5 6-carboxyfluorescein, bioreagent, suitable for fluorescence hplc,3,6-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9-xanthene-5-carboxylic acid compound with 3,6-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9-xanthene-6-carboxylic acid 1:1,4 5-carboxyfluorescein; 3',6'-dihydroxy-3-oxospiro 2-benzofuran-1,9'-xanthene-5 6-carboxylic acid PubChem CID: 44119975 IUPAC-Name: 3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carbonsäure;3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carbonsäure SMILES: OC(=O)C1=CC2=C(C=C1)C1(OC2=O)C2=C(OC3=C1C=CC(O)=C3)C=C(O)C=C2.OC(=O)C1=CC2=C(C=C1)C(=O)OC21C2=C(OC3=C1C=CC(O)=C3)C=C(O)C=C2

InChI-Schlüssel BPVHBBXCESDRKW-UHFFFAOYSA-N
IUPAC-Name 3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carbonsäure;3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carbonsäure
PubChem CID 44119975
CAS 72088-94-9
MDL-Nummer MFCD00151081
Molekulargewicht (g/mol) 752.64
SMILES OC(=O)C1=CC2=C(C=C1)C1(OC2=O)C2=C(OC3=C1C=CC(O)=C3)C=C(O)C=C2.OC(=O)C1=CC2=C(C=C1)C(=O)OC21C2=C(OC3=C1C=CC(O)=C3)C=C(O)C=C2
Synonym 5 6-fam,3',6'-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9'-xanthene-5-carboxylic acid compound with 3',6'-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9'-xanthene-6-carboxylic acid 1:1,5-and-6-fam,5-and-6-carboxyfluorescein,5-carboxyfluorescein; carboxyfluorescein,5 6-carboxyfluorescein, dye content 90 %,5 6-carboxyfluorescein; carboxyfluorescein,5 6-carboxyfluorescein, bioreagent, suitable for fluorescence hplc,3,6-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9-xanthene-5-carboxylic acid compound with 3,6-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9-xanthene-6-carboxylic acid 1:1,4 5-carboxyfluorescein; 3',6'-dihydroxy-3-oxospiro 2-benzofuran-1,9'-xanthene-5 6-carboxylic acid
Summenformel C42H24O14
10

Dimethyl-5-sulfoisophthalat-Natriumsalz, 98 %, Thermo Scientific™

CAS: 3965-55-7 Summenformel: C10H9NaO7S Molekulargewicht (g/mol): 296.225 MDL-Nummer: MFCD00007493 InChI-Schlüssel: LLHSEQCZSNZLRI-UHFFFAOYSA-M Synonym: sodium 3,5-bis methoxycarbonyl benzenesulfonate,sodium dimethyl 5-sulphonatoisophthalate,dimethyl 5-sulfoisophthalate sodium salt,unii-7l3g5x9vdu,sodium 1,3-dimethyl 5-sulfoisophthalate,7l3g5x9vdu,5-sulfoisophthalic acid, dimethyl ester, sodium salt,sodium dimethyl 5-sulfoisophthalate,1,3-benzenedicarboxylic acid, 5-sulfo-, 1,3-dimethyl ester, sodium salt,3,5-bis-methylkarboxy-benzensulfonan sodny czech PubChem CID: 23675796 IUPAC-Name: Natrium;3,5-bis(methoxycarbonyl)benzolsulfonat SMILES: COC(=O)C1=CC(=CC(=C1)S(=O)(=O)[O-])C(=O)OC.[Na+]

InChI-Schlüssel LLHSEQCZSNZLRI-UHFFFAOYSA-M
IUPAC-Name Natrium;3,5-bis(methoxycarbonyl)benzolsulfonat
PubChem CID 23675796
CAS 3965-55-7
MDL-Nummer MFCD00007493
Molekulargewicht (g/mol) 296.225
SMILES COC(=O)C1=CC(=CC(=C1)S(=O)(=O)[O-])C(=O)OC.[Na+]
Synonym sodium 3,5-bis methoxycarbonyl benzenesulfonate,sodium dimethyl 5-sulphonatoisophthalate,dimethyl 5-sulfoisophthalate sodium salt,unii-7l3g5x9vdu,sodium 1,3-dimethyl 5-sulfoisophthalate,7l3g5x9vdu,5-sulfoisophthalic acid, dimethyl ester, sodium salt,sodium dimethyl 5-sulfoisophthalate,1,3-benzenedicarboxylic acid, 5-sulfo-, 1,3-dimethyl ester, sodium salt,3,5-bis-methylkarboxy-benzensulfonan sodny czech
Summenformel C10H9NaO7S
11

Mono-Methyleisophthalat, 97 %, Thermo Scientific Chemicals

CAS: 1877-71-0 Summenformel: C9H8O4 Molekulargewicht (g/mol): 180.16 MDL-Nummer: MFCD00029972 InChI-Schlüssel: WMZNGTSLFSJHMZ-UHFFFAOYSA-N Synonym: 3-methoxycarbonyl benzoic acid,mono-methyl isophthalate,methyl hydrogen isophthalate,isophthalic acid monomethyl ester,monomethyl isophthalate,isophthalic acid methyl ester,isophthalic acid, methyl ester,isophthalic acid, monomethyl ester,methyl m-phthalate,methyl 3-carboxybenzoate PubChem CID: 601880 IUPAC-Name: 3-Methoxycarbonylbenzoesäure SMILES: COC(=O)C1=CC=CC(=C1)C(=O)O

InChI-Schlüssel WMZNGTSLFSJHMZ-UHFFFAOYSA-N
IUPAC-Name 3-Methoxycarbonylbenzoesäure
PubChem CID 601880
CAS 1877-71-0
MDL-Nummer MFCD00029972
Molekulargewicht (g/mol) 180.16
SMILES COC(=O)C1=CC=CC(=C1)C(=O)O
Synonym 3-methoxycarbonyl benzoic acid,mono-methyl isophthalate,methyl hydrogen isophthalate,isophthalic acid monomethyl ester,monomethyl isophthalate,isophthalic acid methyl ester,isophthalic acid, methyl ester,isophthalic acid, monomethyl ester,methyl m-phthalate,methyl 3-carboxybenzoate
Summenformel C9H8O4