
Nitrobenzoic acids and derivatives
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4-Chloro-3,5-dinitrobenzoic acid, 97%
CAS: 118-97-8 Formule moléculaire: C7H3ClN2O6 Poids moléculaire (g/mol): 246.559 Numéro MDL: MFCD00007080 Clé InChI: PCTFIHOVQYYAMH-UHFFFAOYSA-N Synonyme: 4-chloro-3,5-dinitrobenzoic acid,3,5-dinitro-4-chlorobenzoic acid,benzoic acid, 4-chloro-3,5-dinitro,4-chloro-3,5-dinitrobenzoate,4-chloro-3,5-dinitro-benzoic acid,benzoicacid, 4-chloro-3,5-dinitro,pubchem22980,acmc-1bt9j,ksc180k5t,timtec-bb sbb003176 CID PubChem: 8377 SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])C(=O)O
Poids moléculaire (g/mol) | 246.559 |
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Synonyme | 4-chloro-3,5-dinitrobenzoic acid,3,5-dinitro-4-chlorobenzoic acid,benzoic acid, 4-chloro-3,5-dinitro,4-chloro-3,5-dinitrobenzoate,4-chloro-3,5-dinitro-benzoic acid,benzoicacid, 4-chloro-3,5-dinitro,pubchem22980,acmc-1bt9j,ksc180k5t,timtec-bb sbb003176 |
Numéro MDL | MFCD00007080 |
CAS | 118-97-8 |
CID PubChem | 8377 |
Clé InChI | PCTFIHOVQYYAMH-UHFFFAOYSA-N |
SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])C(=O)O |
Formule moléculaire | C7H3ClN2O6 |
5-Chloro-2-nitrobenzoic acid, 99%
CAS: 2516-95-2 Formule moléculaire: C7H4ClNO4 Poids moléculaire (g/mol): 201.562 Numéro MDL: MFCD00007290 Clé InChI: ZKUYSJHXBFFGPU-UHFFFAOYSA-N Synonyme: 5-chloro-2-nitrobenzoic acid,benzoic acid, 5-chloro-2-nitro,2-nitro-5-chlorobenzoic acid,3-chloro-6-nitrobenzoic acid,5-chloro-2-nitro-benzoic acid,pubchem4586,acmc-209ghs,rarechem al bo 1106,timtec-bb sbb009922,2-nitro-5-chlorobenzoate CID PubChem: 17286 SMILES: C1=CC(=C(C=C1Cl)C(=O)O)[N+](=O)[O-]
Poids moléculaire (g/mol) | 201.562 |
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Synonyme | 5-chloro-2-nitrobenzoic acid,benzoic acid, 5-chloro-2-nitro,2-nitro-5-chlorobenzoic acid,3-chloro-6-nitrobenzoic acid,5-chloro-2-nitro-benzoic acid,pubchem4586,acmc-209ghs,rarechem al bo 1106,timtec-bb sbb009922,2-nitro-5-chlorobenzoate |
Numéro MDL | MFCD00007290 |
CAS | 2516-95-2 |
CID PubChem | 17286 |
Clé InChI | ZKUYSJHXBFFGPU-UHFFFAOYSA-N |
SMILES | C1=CC(=C(C=C1Cl)C(=O)O)[N+](=O)[O-] |
Formule moléculaire | C7H4ClNO4 |
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 |
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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 |
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 |
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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 |
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 |
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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 |
5-Nitro-2-(3-phenylpropylamino)benzoic acid, 98%
CAS: 107254-86-4 Formule moléculaire: C16H16N2O4 Poids moléculaire (g/mol): 300.31 Numéro MDL: MFCD00153851 Clé InChI: WBSMIPAMAXNXFS-UHFFFAOYSA-N Synonyme: nppb,5-nitro-2-3-phenylpropylamino benzoic acid,unii-3a35o9g3yz,5-nitro-2-3-phenylpropyl amino benzoic acid,benzoic acid,5-nitro-2-3-phenylpropyl amino,benzoic acid, 5-nitro-2-3-phenylpropyl amino,5-nitro-2-3-phenylpropylamino-benzoic acid,5-nitro-2-phenylpropylaminobenzoic acid nppb,5-nitro-2-3-phenylpropylamino benzoic acid nppb,spectrum_001814 CID PubChem: 4549 ChEBI: CHEBI:34457 Nom IUPAC: 5-nitro-2-[(3-phenylpropyl)amino]benzoic acid SMILES: OC(=O)C1=CC(=CC=C1NCCCC1=CC=CC=C1)[N+]([O-])=O
Poids moléculaire (g/mol) | 300.31 |
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Synonyme | nppb,5-nitro-2-3-phenylpropylamino benzoic acid,unii-3a35o9g3yz,5-nitro-2-3-phenylpropyl amino benzoic acid,benzoic acid,5-nitro-2-3-phenylpropyl amino,benzoic acid, 5-nitro-2-3-phenylpropyl amino,5-nitro-2-3-phenylpropylamino-benzoic acid,5-nitro-2-phenylpropylaminobenzoic acid nppb,5-nitro-2-3-phenylpropylamino benzoic acid nppb,spectrum_001814 |
Numéro MDL | MFCD00153851 |
CAS | 107254-86-4 |
CID PubChem | 4549 |
ChEBI | CHEBI:34457 |
Nom IUPAC | 5-nitro-2-[(3-phenylpropyl)amino]benzoic acid |
Clé InChI | WBSMIPAMAXNXFS-UHFFFAOYSA-N |
SMILES | OC(=O)C1=CC(=CC=C1NCCCC1=CC=CC=C1)[N+]([O-])=O |
Formule moléculaire | C16H16N2O4 |
3,5-Dimethyl-4-nitrobenzoic acid, 97%
CAS: 3095-38-3 Formule moléculaire: C9H9NO4 Poids moléculaire (g/mol): 195.17 Numéro MDL: MFCD00014699 Clé InChI: RBAVFNOGEPCOQI-UHFFFAOYSA-N CID PubChem: 249413 Nom IUPAC: 3,5-dimethyl-4-nitrobenzoic acid SMILES: CC1=CC(=CC(C)=C1[N+]([O-])=O)C(O)=O
Poids moléculaire (g/mol) | 195.17 |
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Numéro MDL | MFCD00014699 |
CAS | 3095-38-3 |
CID PubChem | 249413 |
Nom IUPAC | 3,5-dimethyl-4-nitrobenzoic acid |
Clé InChI | RBAVFNOGEPCOQI-UHFFFAOYSA-N |
SMILES | CC1=CC(=CC(C)=C1[N+]([O-])=O)C(O)=O |
Formule moléculaire | C9H9NO4 |
Methyl 2-nitro-3,4,5-trimethoxybenzoate, 98%
CAS: 5081-42-5 Formule moléculaire: C11H13NO7 Poids moléculaire (g/mol): 271.225 Numéro MDL: MFCD00007097 Clé InChI: HCEIEWYPDCDNNU-UHFFFAOYSA-N Synonyme: methyl 2-nitro-3,4,5-trimethoxybenzoate,methyl 6-nitro-3,4,5-trimethoxybenzoate,3,4,5-trimethoxy-2-nitrobenzoic acid methyl ester,benzoic acid, 3,4,5-trimethoxy-2-nitro-, methyl ester,2-nitro-3,4,5-trimethoxybenzoic acid methyl ester,pubchem22545,opera_id_1985,acmc-1ar8w,hceiewypdcdnnu-uhfffaoysa,methyl 3,5-trimethoxy-2-nitrobenzoate CID PubChem: 78765 Nom IUPAC: methyl 3,4,5-trimethoxy-2-nitrobenzoate SMILES: COC1=C(C(=C(C(=C1)C(=O)OC)[N+](=O)[O-])OC)OC
Poids moléculaire (g/mol) | 271.225 |
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Synonyme | methyl 2-nitro-3,4,5-trimethoxybenzoate,methyl 6-nitro-3,4,5-trimethoxybenzoate,3,4,5-trimethoxy-2-nitrobenzoic acid methyl ester,benzoic acid, 3,4,5-trimethoxy-2-nitro-, methyl ester,2-nitro-3,4,5-trimethoxybenzoic acid methyl ester,pubchem22545,opera_id_1985,acmc-1ar8w,hceiewypdcdnnu-uhfffaoysa,methyl 3,5-trimethoxy-2-nitrobenzoate |
Numéro MDL | MFCD00007097 |
CAS | 5081-42-5 |
CID PubChem | 78765 |
Nom IUPAC | methyl 3,4,5-trimethoxy-2-nitrobenzoate |
Clé InChI | HCEIEWYPDCDNNU-UHFFFAOYSA-N |
SMILES | COC1=C(C(=C(C(=C1)C(=O)OC)[N+](=O)[O-])OC)OC |
Formule moléculaire | C11H13NO7 |
2-Methyl-6-nitrobenzoic acid, 98%
CAS: 13506-76-8 Formule moléculaire: C8H7NO4 Poids moléculaire (g/mol): 181.147 Numéro MDL: MFCD00007267 Clé InChI: CCXSGQZMYLXTOI-UHFFFAOYSA-N Synonyme: 2-methyl-6-nitrobenzoic acid,6-nitro-o-toluic acid,benzoic acid, 2-methyl-6-nitro,6-methyl-2-nitrobenzoic acid,2-methyl-6-nitro-benzoic acid,o-toluic acid, 6-nitro,2-methyl-6-nitrobenzoicacid,unii-jm85y56dx1,nitrotoluylsaure,nitro-ortho-toluic acid CID PubChem: 16097 SMILES: CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O
Poids moléculaire (g/mol) | 181.147 |
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Synonyme | 2-methyl-6-nitrobenzoic acid,6-nitro-o-toluic acid,benzoic acid, 2-methyl-6-nitro,6-methyl-2-nitrobenzoic acid,2-methyl-6-nitro-benzoic acid,o-toluic acid, 6-nitro,2-methyl-6-nitrobenzoicacid,unii-jm85y56dx1,nitrotoluylsaure,nitro-ortho-toluic acid |
Numéro MDL | MFCD00007267 |
CAS | 13506-76-8 |
CID PubChem | 16097 |
Clé InChI | CCXSGQZMYLXTOI-UHFFFAOYSA-N |
SMILES | CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O |
Formule moléculaire | C8H7NO4 |
Dimethyl 3-nitrophthalate, 98%
CAS: 13365-26-9 Formule moléculaire: C10H9NO6 Poids moléculaire (g/mol): 239.183 Numéro MDL: MFCD00017184 Clé InChI: MLQMIKSBTAZNBK-UHFFFAOYSA-N CID PubChem: 249912 Nom IUPAC: dimethyl 3-nitrobenzene-1,2-dicarboxylate SMILES: COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OC
Poids moléculaire (g/mol) | 239.183 |
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Numéro MDL | MFCD00017184 |
CAS | 13365-26-9 |
CID PubChem | 249912 |
Nom IUPAC | dimethyl 3-nitrobenzene-1,2-dicarboxylate |
Clé InChI | MLQMIKSBTAZNBK-UHFFFAOYSA-N |
SMILES | COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OC |
Formule moléculaire | C10H9NO6 |
Methyl 4-chloro-3-nitrobenzoate, 98%
CAS: 14719-83-6 Formule moléculaire: C8H6ClNO4 Poids moléculaire (g/mol): 215.59 Numéro MDL: MFCD00016989 Clé InChI: XRTKWPWDSUNLHS-UHFFFAOYSA-N Synonyme: methyl 4-chloro-3-nitrobenzate,4-chloro-3-nitrobenzoic acid methyl ester,methyl-4-chloro-3-nitrobenzoate,benzoic acid, 4-chloro-3-nitro-, methyl ester,acmc-209cya,methyl-3-nitro-4-chlorobenzoate,methyl 3-nitro-4-chlorobenzoate,xrtkwpwdsunlhs-uhfffaoysa,methyl 4-chloro-3-nitro-benzoate,methyl4-chloro-3-nitrobenzoate CID PubChem: 735797 Nom IUPAC: methyl 4-chloro-3-nitrobenzoate SMILES: COC(=O)C1=CC=C(Cl)C(=C1)[N+]([O-])=O
Poids moléculaire (g/mol) | 215.59 |
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Synonyme | methyl 4-chloro-3-nitrobenzate,4-chloro-3-nitrobenzoic acid methyl ester,methyl-4-chloro-3-nitrobenzoate,benzoic acid, 4-chloro-3-nitro-, methyl ester,acmc-209cya,methyl-3-nitro-4-chlorobenzoate,methyl 3-nitro-4-chlorobenzoate,xrtkwpwdsunlhs-uhfffaoysa,methyl 4-chloro-3-nitro-benzoate,methyl4-chloro-3-nitrobenzoate |
Numéro MDL | MFCD00016989 |
CAS | 14719-83-6 |
CID PubChem | 735797 |
Nom IUPAC | methyl 4-chloro-3-nitrobenzoate |
Clé InChI | XRTKWPWDSUNLHS-UHFFFAOYSA-N |
SMILES | COC(=O)C1=CC=C(Cl)C(=C1)[N+]([O-])=O |
Formule moléculaire | C8H6ClNO4 |
Numéro MDL | MFCD00014697 |
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CAS | 4998-07-6 |
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 |
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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 |
Ethyl 4-nitrobenzoate, 98%
CAS: 99-77-4 Formule moléculaire: C9H9NO4 Poids moléculaire (g/mol): 195.174 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) | 195.174 |
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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 |
3-Nitrobenzoic acid, 99%
CAS: 121-92-6 Formule moléculaire: C7H5NO4 Poids moléculaire (g/mol): 167.12 Numéro MDL: MFCD00007251 Clé InChI: AFPHTEQTJZKQAQ-UHFFFAOYSA-N Synonyme: 3-nitrobenzoic acid,m-nitrobenzoic acid,benzoic acid, 3-nitro,benzoic acid, m-nitro,meta-nitrobenzoic acid,metanitrobenzoic acid,m-nitrobenzenecarboxylic acid,3-nitro-benzoic acid,ccris 2335,nitrobenzoic 3-acid CID PubChem: 8497 SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O
Poids moléculaire (g/mol) | 167.12 |
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Synonyme | 3-nitrobenzoic acid,m-nitrobenzoic acid,benzoic acid, 3-nitro,benzoic acid, m-nitro,meta-nitrobenzoic acid,metanitrobenzoic acid,m-nitrobenzenecarboxylic acid,3-nitro-benzoic acid,ccris 2335,nitrobenzoic 3-acid |
Numéro MDL | MFCD00007251 |
CAS | 121-92-6 |
CID PubChem | 8497 |
Clé InChI | AFPHTEQTJZKQAQ-UHFFFAOYSA-N |
SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O |
Formule moléculaire | C7H5NO4 |