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Nitrobenzoic acids and derivatives

Organic compounds that consist of benzoic acid with a nitro group substitution; a nitro group has a nitrogen atom bonded to two oxygen groups in a single and a double bond. Includes compounds that are directly derived from nitrobenzoic acid.
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1 – 15 de 217 résultats
1

Ethyl 4-nitrobenzoate, 99%

CAS: 99-77-4 Formule moléculaire: C9H9NO4 Poids moléculaire (g/mol): 195.17 Numéro MDL: MFCD00007351 Clé InChI: PHWSCBWNPZDYRI-UHFFFAOYSA-N Synonyme: ethyl p-nitrobenzoate,benzoic acid, 4-nitro-, ethyl ester,4-nitrobenzoic acid ethyl ester,ethyl nitrobenzoate, para ester,p-nitrobenzoic acid, ethyl ester,4-ethoxycarbonyl nitrobenzene,benzoic acid, p-nitro-, ethyl ester,ethyl-p-nitrobenzoate,unii-1och6y8nar,ethyl para-nitrobenzoate CID PubChem: 7457 Nom IUPAC: ethyl 4-nitrobenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Poids moléculaire (g/mol) 195.17
Synonyme ethyl p-nitrobenzoate,benzoic acid, 4-nitro-, ethyl ester,4-nitrobenzoic acid ethyl ester,ethyl nitrobenzoate, para ester,p-nitrobenzoic acid, ethyl ester,4-ethoxycarbonyl nitrobenzene,benzoic acid, p-nitro-, ethyl ester,ethyl-p-nitrobenzoate,unii-1och6y8nar,ethyl para-nitrobenzoate
Numéro MDL MFCD00007351
CAS 99-77-4
CID PubChem 7457
Nom IUPAC ethyl 4-nitrobenzoate
Clé InChI PHWSCBWNPZDYRI-UHFFFAOYSA-N
SMILES CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
Formule moléculaire C9H9NO4
2

2-Methoxy-4-nitrobenzoic acid, 98%

CAS: 2597-56-0 Formule moléculaire: C8H7NO5 Poids moléculaire (g/mol): 197.15 Numéro MDL: MFCD00216573 Clé InChI: KPJXEWJRJKEOCD-UHFFFAOYSA-N Synonyme: 2-methoxy-4-nitrobenzoic acid,4-nitro-o-anisic acid,4-nitro-2-methoxybenzoic acid,rarechem al bo 1464,2-carboxy-5-nitroanisole,2-methoxy-4-nitro-benzoic acid,benzoic acid, 2-methoxy-4-nitro,4-nitro-2-methoxybenzoicacid,pubchem4977,acmc-20a5eb CID PubChem: 75776 Nom IUPAC: 2-methoxy-4-nitrobenzoic acid SMILES: COC1=CC(=CC=C1C(O)=O)[N+]([O-])=O

Poids moléculaire (g/mol) 197.15
Synonyme 2-methoxy-4-nitrobenzoic acid,4-nitro-o-anisic acid,4-nitro-2-methoxybenzoic acid,rarechem al bo 1464,2-carboxy-5-nitroanisole,2-methoxy-4-nitro-benzoic acid,benzoic acid, 2-methoxy-4-nitro,4-nitro-2-methoxybenzoicacid,pubchem4977,acmc-20a5eb
Numéro MDL MFCD00216573
CAS 2597-56-0
CID PubChem 75776
Nom IUPAC 2-methoxy-4-nitrobenzoic acid
Clé InChI KPJXEWJRJKEOCD-UHFFFAOYSA-N
SMILES COC1=CC(=CC=C1C(O)=O)[N+]([O-])=O
Formule moléculaire C8H7NO5
3

4,5-Dimethoxy-2-nitrobenzoic acid, 98%

CAS: 4998-07-6 Numéro MDL: MFCD00014697

Numéro MDL MFCD00014697
CAS 4998-07-6
4

Methyl 2-chloro-4-nitrobenzoate, 98%

CAS: 13324-11-3 Formule moléculaire: C8H6ClNO4 Poids moléculaire (g/mol): 215.59 Numéro MDL: MFCD00017013 Clé InChI: PICNSXCJRMYANX-UHFFFAOYSA-N Synonyme: 2-chloro-4-nitrobenzoic acid methyl ester,methyl2-chloro-4-nitrobenzoate,4-nitro-2-chlorobenzoic acid methyl ester,2-chloro-4-nitro-benzoic acid methyl ester,benzoic acid, 2-chloro-4-nitro-, methyl ester,maybridge1_005088,acmc-1c12v,methyl-2-chloro-4-nitrobenzoate,methyl-4-nitro-2-chlorobenzoate,2-chloro-4-nitrobenzoic acid methylester CID PubChem: 83343 Nom IUPAC: methyl 2-chloro-4-nitrobenzoate SMILES: COC(=O)C1=CC=C(C=C1Cl)[N+]([O-])=O

Poids moléculaire (g/mol) 215.59
Synonyme 2-chloro-4-nitrobenzoic acid methyl ester,methyl2-chloro-4-nitrobenzoate,4-nitro-2-chlorobenzoic acid methyl ester,2-chloro-4-nitro-benzoic acid methyl ester,benzoic acid, 2-chloro-4-nitro-, methyl ester,maybridge1_005088,acmc-1c12v,methyl-2-chloro-4-nitrobenzoate,methyl-4-nitro-2-chlorobenzoate,2-chloro-4-nitrobenzoic acid methylester
Numéro MDL MFCD00017013
CAS 13324-11-3
CID PubChem 83343
Nom IUPAC methyl 2-chloro-4-nitrobenzoate
Clé InChI PICNSXCJRMYANX-UHFFFAOYSA-N
SMILES COC(=O)C1=CC=C(C=C1Cl)[N+]([O-])=O
Formule moléculaire C8H6ClNO4
5

Methyl 2-methoxy-5-nitrobenzoate, 98%

CAS: 34841-11-7 Formule moléculaire: C9H9NO5 Poids moléculaire (g/mol): 211.173 Numéro MDL: MFCD00673023 Clé InChI: DOBFJVVTBNTGCW-UHFFFAOYSA-N Synonyme: 2-methoxy-5-nitrobenzoic acid methyl ester,methyl2-methoxy-5-nitrobenzoate,methyl-2-methoxy-5-nitrobenzoate,5-nitro-o-anisic acid methyl ester,pubchem14052,acmc-1adrt,methyl 5-nitro-o-anisate,asischem d13383,rarechem al bf 0877,timtec-bb sbb014757 CID PubChem: 7020925 Nom IUPAC: methyl 2-methoxy-5-nitrobenzoate SMILES: COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC

Poids moléculaire (g/mol) 211.173
Synonyme 2-methoxy-5-nitrobenzoic acid methyl ester,methyl2-methoxy-5-nitrobenzoate,methyl-2-methoxy-5-nitrobenzoate,5-nitro-o-anisic acid methyl ester,pubchem14052,acmc-1adrt,methyl 5-nitro-o-anisate,asischem d13383,rarechem al bf 0877,timtec-bb sbb014757
Numéro MDL MFCD00673023
CAS 34841-11-7
CID PubChem 7020925
Nom IUPAC methyl 2-methoxy-5-nitrobenzoate
Clé InChI DOBFJVVTBNTGCW-UHFFFAOYSA-N
SMILES COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC
Formule moléculaire C9H9NO5
6

Ethyl 2-nitrobenzoate, 97%

CAS: 610-34-4 Formule moléculaire: C9H9NO4 Poids moléculaire (g/mol): 195.17 Numéro MDL: MFCD00014696 Clé InChI: CPNMAYYYYSWTIV-UHFFFAOYSA-N Synonyme: ethyl o-nitrobenzoate,ethyl nitrobenzoate,benzoic acid, o-nitro-, ethyl ester,benzoic acid, 2-nitro-, ethyl ester,nitrobenzoesaureathylester,acmc-1aul6,2-nitro-benzoic acid ethyl ester CID PubChem: 69123 Nom IUPAC: ethyl 2-nitrobenzoate SMILES: CCOC(=O)C1=CC=CC=C1[N+]([O-])=O

Poids moléculaire (g/mol) 195.17
Synonyme ethyl o-nitrobenzoate,ethyl nitrobenzoate,benzoic acid, o-nitro-, ethyl ester,benzoic acid, 2-nitro-, ethyl ester,nitrobenzoesaureathylester,acmc-1aul6,2-nitro-benzoic acid ethyl ester
Numéro MDL MFCD00014696
CAS 610-34-4
CID PubChem 69123
Nom IUPAC ethyl 2-nitrobenzoate
Clé InChI CPNMAYYYYSWTIV-UHFFFAOYSA-N
SMILES CCOC(=O)C1=CC=CC=C1[N+]([O-])=O
Formule moléculaire C9H9NO4
7

3-Carboxy-5-nitrobenzeneboronic acid, 97%

CAS: 101084-81-5 Formule moléculaire: C7H6BNO6 Poids moléculaire (g/mol): 210.936 Numéro MDL: MFCD00757433 Clé InChI: WNIFCLWDGNHGMX-UHFFFAOYSA-N Synonyme: 3-carboxy-5-nitrophenylboronic acid,3-nitro-5-carboxyphenylboronic acid,5-nitro-3-carboxyphenylboronic acid,3-carboxy-5-nitrophenyl boronic acid,3-carboxy-5-nitrobenzeneboronic acid,benzoic acid, 3-borono-5-nitro,3-dihydroxyboryl-5-nitrobenzoic acid,3-dihydroxyboranyl-5-nitrobenzoic acid,3-borono-5-nitro-benzoic acid,pubchem5139 CID PubChem: 2773315 Nom IUPAC: 3-borono-5-nitrobenzoic acid SMILES: B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O)(O)O

Poids moléculaire (g/mol) 210.936
Synonyme 3-carboxy-5-nitrophenylboronic acid,3-nitro-5-carboxyphenylboronic acid,5-nitro-3-carboxyphenylboronic acid,3-carboxy-5-nitrophenyl boronic acid,3-carboxy-5-nitrobenzeneboronic acid,benzoic acid, 3-borono-5-nitro,3-dihydroxyboryl-5-nitrobenzoic acid,3-dihydroxyboranyl-5-nitrobenzoic acid,3-borono-5-nitro-benzoic acid,pubchem5139
Numéro MDL MFCD00757433
CAS 101084-81-5
CID PubChem 2773315
Nom IUPAC 3-borono-5-nitrobenzoic acid
Clé InChI WNIFCLWDGNHGMX-UHFFFAOYSA-N
SMILES B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O)(O)O
Formule moléculaire C7H6BNO6
8

5-Chloro-2,4-dinitrobenzoic acid, 98%

CAS: 136833-36-8 Formule moléculaire: C7H3ClN2O6 Poids moléculaire (g/mol): 246.559 Numéro MDL: MFCD00091829 Clé InChI: VVQOEJCXWMGEJG-UHFFFAOYSA-N Synonyme: 5-chloro-2,4-dinitrobenzoic acid,benzoic acid, 5-chloro-2,4-dinitro,acmc-20a30o,2,4-dinitro-5-chlorobenzoic acid,3-chloro-4,6-dinitrobenzoic acid CID PubChem: 3727860 SMILES: C1=C(C(=CC(=C1Cl)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

Poids moléculaire (g/mol) 246.559
Synonyme 5-chloro-2,4-dinitrobenzoic acid,benzoic acid, 5-chloro-2,4-dinitro,acmc-20a30o,2,4-dinitro-5-chlorobenzoic acid,3-chloro-4,6-dinitrobenzoic acid
Numéro MDL MFCD00091829
CAS 136833-36-8
CID PubChem 3727860
Clé InChI VVQOEJCXWMGEJG-UHFFFAOYSA-N
SMILES C1=C(C(=CC(=C1Cl)[N+](=O)[O-])[N+](=O)[O-])C(=O)O
Formule moléculaire C7H3ClN2O6
9

4-Bromo-2-nitrobenzoic acid, 97%

CAS: 99277-71-1 Formule moléculaire: C7H3BrNO4 Poids moléculaire (g/mol): 245.01 Numéro MDL: MFCD01013599 Clé InChI: ZIRHHEZLJGORGU-UHFFFAOYSA-M Synonyme: 4-bromo-2-nitrobenzoic acid,4-bromo-2-nitro-benzoic acid,2-nitro-4-bromobenzoic acid,5-bromo-2-carboxynitrobenzene,benzoic acid, 4-bromo-2-nitro,4-bromo-2-nitrobenzoicacid,pubchem2055,4-bromo-2-nitrobenzoic,acmc-209sc4,bromonitrobenzoicacid 42- CID PubChem: 3774467 Nom IUPAC: 4-bromo-2-nitrobenzoate SMILES: [O-]C(=O)C1=CC=C(Br)C=C1[N+]([O-])=O

Poids moléculaire (g/mol) 245.01
Synonyme 4-bromo-2-nitrobenzoic acid,4-bromo-2-nitro-benzoic acid,2-nitro-4-bromobenzoic acid,5-bromo-2-carboxynitrobenzene,benzoic acid, 4-bromo-2-nitro,4-bromo-2-nitrobenzoicacid,pubchem2055,4-bromo-2-nitrobenzoic,acmc-209sc4,bromonitrobenzoicacid 42-
Numéro MDL MFCD01013599
CAS 99277-71-1
CID PubChem 3774467
Nom IUPAC 4-bromo-2-nitrobenzoate
Clé InChI ZIRHHEZLJGORGU-UHFFFAOYSA-M
SMILES [O-]C(=O)C1=CC=C(Br)C=C1[N+]([O-])=O
Formule moléculaire C7H3BrNO4
10

5,5'-Dithiobis(2-nitrobenzoic acid), 99%

CAS: 69-78-3 Formule moléculaire: C14H8N2O8S2 Poids moléculaire (g/mol): 396.34 Numéro MDL: MFCD00007140 Clé InChI: KIUMMUBSPKGMOY-UHFFFAOYSA-N Synonyme: dtnb,5,5'-dithiobis 2-nitrobenzoic acid,ellman's reagent,3-carboxy-4-nitrophenyl disulfide,dithionitrobenzoic acid,dithiobisnitrobenzoic acid,5,5'-disulfanediylbis 2-nitrobenzoic acid,benzoic acid, 3,3'-dithiobis 6-nitro,3,3'-dithiobis 6-nitrobenzoic acid,5,5'-dithio-bis 2-nitrobenzoic acid CID PubChem: 6254 ChEBI: CHEBI:86228 Nom IUPAC: 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid SMILES: OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O

Poids moléculaire (g/mol) 396.34
Synonyme dtnb,5,5'-dithiobis 2-nitrobenzoic acid,ellman's reagent,3-carboxy-4-nitrophenyl disulfide,dithionitrobenzoic acid,dithiobisnitrobenzoic acid,5,5'-disulfanediylbis 2-nitrobenzoic acid,benzoic acid, 3,3'-dithiobis 6-nitro,3,3'-dithiobis 6-nitrobenzoic acid,5,5'-dithio-bis 2-nitrobenzoic acid
Numéro MDL MFCD00007140
CAS 69-78-3
CID PubChem 6254
ChEBI CHEBI:86228
Nom IUPAC 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid
Clé InChI KIUMMUBSPKGMOY-UHFFFAOYSA-N
SMILES OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O
Formule moléculaire C14H8N2O8S2
11

3,5-Dinitrobenzoic acid, 98+%

CAS: 99-34-3 Formule moléculaire: C7H4N2O6 Poids moléculaire (g/mol): 212.12 Numéro MDL: MFCD00007253 Clé InChI: VYWYYJYRVSBHJQ-UHFFFAOYSA-N Synonyme: 3,5-dinitrobenzoic acid,dinitrobenzoic acid,dnba,benzoic acid, 3,5-dinitro,3-carboxy-1,5-dinitrobenzene,3,5-dinitro-benzoic acid,unii-4v3f9q018p,ccris 3129,3,5-dnba,3,5-dinitrobenzenecarboxylic acid CID PubChem: 7433 ChEBI: CHEBI:73914 Nom IUPAC: 3,5-dinitrobenzoic acid SMILES: OC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O

Poids moléculaire (g/mol) 212.12
Synonyme 3,5-dinitrobenzoic acid,dinitrobenzoic acid,dnba,benzoic acid, 3,5-dinitro,3-carboxy-1,5-dinitrobenzene,3,5-dinitro-benzoic acid,unii-4v3f9q018p,ccris 3129,3,5-dnba,3,5-dinitrobenzenecarboxylic acid
Numéro MDL MFCD00007253
CAS 99-34-3
CID PubChem 7433
ChEBI CHEBI:73914
Nom IUPAC 3,5-dinitrobenzoic acid
Clé InChI VYWYYJYRVSBHJQ-UHFFFAOYSA-N
SMILES OC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O
Formule moléculaire C7H4N2O6
12

Methyl 4-nitrobenzoate, 99%

CAS: 619-50-1 Formule moléculaire: C8H7NO4 Poids moléculaire (g/mol): 181.147 Numéro MDL: MFCD00007350 Clé InChI: YOJAHJGBFDPSDI-UHFFFAOYSA-N Synonyme: methyl p-nitrobenzoate,benzoic acid, 4-nitro-, methyl ester,p-nitrobenzoic acid methyl ester,methyl-p-nitrobenzoate,methyl-4-nitrobenzoate,benzoic acid, p-nitro-, methyl ester,p-carbomethoxynitrobenzene,unii-nmn8cth864,nmn8cth864,4-nitrobenzoic acid methyl ester CID PubChem: 12083 Nom IUPAC: methyl 4-nitrobenzoate SMILES: COC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Poids moléculaire (g/mol) 181.147
Synonyme methyl p-nitrobenzoate,benzoic acid, 4-nitro-, methyl ester,p-nitrobenzoic acid methyl ester,methyl-p-nitrobenzoate,methyl-4-nitrobenzoate,benzoic acid, p-nitro-, methyl ester,p-carbomethoxynitrobenzene,unii-nmn8cth864,nmn8cth864,4-nitrobenzoic acid methyl ester
Numéro MDL MFCD00007350
CAS 619-50-1
CID PubChem 12083
Nom IUPAC methyl 4-nitrobenzoate
Clé InChI YOJAHJGBFDPSDI-UHFFFAOYSA-N
SMILES COC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
Formule moléculaire C8H7NO4
13

Methyl 3-hydroxy-4-nitrobenzoate, 98%

CAS: 713-52-0 Formule moléculaire: C8H7NO5 Poids moléculaire (g/mol): 197.146 Numéro MDL: MFCD00016997 Clé InChI: UEGCRFNWTGYVKX-UHFFFAOYSA-N Synonyme: benzoic acid, 3-hydroxy-4-nitro-, methyl ester,3-hydroxy-4-nitrobenzoic acid methyl ester,3-hydroxy-4-nitro-benzoic acid methyl ester,methyl 3-hydroxy-4-nitro-benzoate,methyl3-hydroxy-4-nitrobenzoate,pubchem20121,acmc-209oia,ksc379e5n,5-methoxycarbonyl-2-nitrophenol,methyl3-hydroxy-4-nitronemzoate CID PubChem: 294866 Nom IUPAC: methyl 3-hydroxy-4-nitrobenzoate SMILES: COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])O

Poids moléculaire (g/mol) 197.146
Synonyme benzoic acid, 3-hydroxy-4-nitro-, methyl ester,3-hydroxy-4-nitrobenzoic acid methyl ester,3-hydroxy-4-nitro-benzoic acid methyl ester,methyl 3-hydroxy-4-nitro-benzoate,methyl3-hydroxy-4-nitrobenzoate,pubchem20121,acmc-209oia,ksc379e5n,5-methoxycarbonyl-2-nitrophenol,methyl3-hydroxy-4-nitronemzoate
Numéro MDL MFCD00016997
CAS 713-52-0
CID PubChem 294866
Nom IUPAC methyl 3-hydroxy-4-nitrobenzoate
Clé InChI UEGCRFNWTGYVKX-UHFFFAOYSA-N
SMILES COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])O
Formule moléculaire C8H7NO5
14

2-Chloro-5-nitrobenzoic acid, 98+%

CAS: 2516-96-3 Formule moléculaire: C7H4ClNO4 Poids moléculaire (g/mol): 201.562 Numéro MDL: MFCD00007294 Clé InChI: QUEKGYQTRJVEQC-UHFFFAOYSA-N Synonyme: 2-chloro-5-nitrobenzoic acid,benzoic acid, 2-chloro-5-nitro,6-chloro-3-nitrobenzoic acid,2-chloro-5-nitro-benzoic acid,2-chloro-5-nitrobenzoicacid,mesalamine impurity m,pubchem13682,acmc-1cb0i,2-chloro-5-nitrobenzic acid,5-nitro-2-chlorobenzoic acid CID PubChem: 17287 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl

Poids moléculaire (g/mol) 201.562
Synonyme 2-chloro-5-nitrobenzoic acid,benzoic acid, 2-chloro-5-nitro,6-chloro-3-nitrobenzoic acid,2-chloro-5-nitro-benzoic acid,2-chloro-5-nitrobenzoicacid,mesalamine impurity m,pubchem13682,acmc-1cb0i,2-chloro-5-nitrobenzic acid,5-nitro-2-chlorobenzoic acid
Numéro MDL MFCD00007294
CAS 2516-96-3
CID PubChem 17287
Clé InChI QUEKGYQTRJVEQC-UHFFFAOYSA-N
SMILES C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl
Formule moléculaire C7H4ClNO4
15

3-Amino-5-nitrobenzoic acid, 98%

CAS: 618-84-8 Formule moléculaire: C7H6N2O4 Poids moléculaire (g/mol): 182.135 Numéro MDL: MFCD00017025 Clé InChI: ZNVHAQRPXAQKRU-UHFFFAOYSA-N Synonyme: 3-amino-5-nitrobenzoic acid,3-amino-5-nitro-benzoic acid,benzoic acid, 3-amino-5-nitro,3-amino-5-nitrobenzoicacid,5-amino-3-nitrobenzoic acid,acmc-20ana2,3-nitro-5-aminobenzoic acid,5-nitro-3-aminobenzoic acid,benzoic acid,3-amino-5-nitro,3-amino-5-nitrobenzoic acid 1g CID PubChem: 239342 SMILES: C1=C(C=C(C=C1N)[N+](=O)[O-])C(=O)O

Poids moléculaire (g/mol) 182.135
Synonyme 3-amino-5-nitrobenzoic acid,3-amino-5-nitro-benzoic acid,benzoic acid, 3-amino-5-nitro,3-amino-5-nitrobenzoicacid,5-amino-3-nitrobenzoic acid,acmc-20ana2,3-nitro-5-aminobenzoic acid,5-nitro-3-aminobenzoic acid,benzoic acid,3-amino-5-nitro,3-amino-5-nitrobenzoic acid 1g
Numéro MDL MFCD00017025
CAS 618-84-8
CID PubChem 239342
Clé InChI ZNVHAQRPXAQKRU-UHFFFAOYSA-N
SMILES C1=C(C=C(C=C1N)[N+](=O)[O-])C(=O)O
Formule moléculaire C7H6N2O4