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.

Search Within Results

1 – 15 of 194 results

Methyl 3-nitrobenzoate, 98%

CAS: 618-95-1 Molecular Formula: C₈H₇NO₄ Molecular Weight (g/mol): 181.15 MDL Number: MFCD00007250 InChI Key: AXLYJLKKPUICKV-UHFFFAOYSA-N Synonym: 3-nitrobenzoic acid methyl ester,methyl m-nitrobenzoate,methyl3-nitrobenzoate,benzoic acid, 3-nitro-, methyl ester,m-nitrobenzoic acid, methyl ester,benzoic acid, m-nitro-, methyl ester,3-nitro-benzoic acid methyl ester,3-nitro-benzoicacimethylester,acmc-209mxc,methyl 3-nitro-benzoate PubChem CID: 69260 IUPAC Name: methyl 3-nitrobenzoate SMILES: COC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

Pricing and Availability
Specifications

PubChem CID	69260
CAS	618-95-1
Molecular Weight (g/mol)	181.15
MDL Number	MFCD00007250
SMILES	COC(=O)C1=CC(=CC=C1)[N+](=O)[O-]
Synonym	3-nitrobenzoic acid methyl ester,methyl m-nitrobenzoate,methyl3-nitrobenzoate,benzoic acid, 3-nitro-, methyl ester,m-nitrobenzoic acid, methyl ester,benzoic acid, m-nitro-, methyl ester,3-nitro-benzoic acid methyl ester,3-nitro-benzoicacimethylester,acmc-209mxc,methyl 3-nitro-benzoate
IUPAC Name	methyl 3-nitrobenzoate
InChI Key	AXLYJLKKPUICKV-UHFFFAOYSA-N
Molecular Formula	C₈H₇NO₄

3-Nitrobenzoic acid, 99%

CAS: 121-92-6 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007251 InChI Key: AFPHTEQTJZKQAQ-UHFFFAOYSA-N Synonym: 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 PubChem CID: 8497 SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O

Pricing and Availability
Specifications

PubChem CID	8497
CAS	121-92-6
Molecular Weight (g/mol)	167.12
MDL Number	MFCD00007251
SMILES	C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O
Synonym	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
InChI Key	AFPHTEQTJZKQAQ-UHFFFAOYSA-N
Molecular Formula	C7H5NO4

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

CAS: 69-78-3 Molecular Formula: C14H8N2O8S2 Molecular Weight (g/mol): 396.34 MDL Number: MFCD00007140 InChI Key: KIUMMUBSPKGMOY-UHFFFAOYSA-N Synonym: 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 PubChem CID: 6254 ChEBI: CHEBI:86228 IUPAC Name: 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

Pricing and Availability
Specifications

PubChem CID	6254
CAS	69-78-3
Molecular Weight (g/mol)	396.34
ChEBI	CHEBI:86228
MDL Number	MFCD00007140
SMILES	OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O
Synonym	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
IUPAC Name	5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid
InChI Key	KIUMMUBSPKGMOY-UHFFFAOYSA-N
Molecular Formula	C14H8N2O8S2

PubChem CID	6254
CAS	69-78-3
Molecular Weight (g/mol)	396.34
ChEBI	CHEBI:86228
MDL Number	MFCD00007140
SMILES	OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O
Synonym	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
IUPAC Name	5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid
InChI Key	KIUMMUBSPKGMOY-UHFFFAOYSA-N
Molecular Formula	C14H8N2O8S2

2-Nitrobenzoic acid, 95%

CAS: 552-16-9 Molecular Formula: C₇H₅NO₄ Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007137 InChI Key: SLAMLWHELXOEJZ-UHFFFAOYSA-N Synonym: 2-nitrobenzoic acid,o-nitrobenzoic acid,benzoic acid, 2-nitro,2-nitrobenzoicacid,o-carboxynitrobenzene,benzoic acid, o-nitro,nitrobenzoic acid,2-nitro-benzoic acid,ccris 2334,2-nitro benzoic acid PubChem CID: 11087 ChEBI: CHEBI:25620 SMILES: C1=CC=C(C(=C1)C(=O)O)[N+](=O)[O-]

Pricing and Availability
Specifications

PubChem CID	11087
CAS	552-16-9
Molecular Weight (g/mol)	167.12
ChEBI	CHEBI:25620
MDL Number	MFCD00007137
SMILES	C1=CC=C(C(=C1)C(=O)O)[N+](=O)[O-]
Synonym	2-nitrobenzoic acid,o-nitrobenzoic acid,benzoic acid, 2-nitro,2-nitrobenzoicacid,o-carboxynitrobenzene,benzoic acid, o-nitro,nitrobenzoic acid,2-nitro-benzoic acid,ccris 2334,2-nitro benzoic acid
InChI Key	SLAMLWHELXOEJZ-UHFFFAOYSA-N
Molecular Formula	C₇H₅NO₄

4-Methyl-3-nitrobenzoic acid, 99%

CAS: 96-98-0 Molecular Formula: C₈H₇NO₄ Molecular Weight (g/mol): 181.15 MDL Number: MFCD00007174 InChI Key: BBEWSMNRCUXQRF-UHFFFAOYSA-N PubChem CID: 7319 SMILES: CC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

Pricing and Availability
Specifications

PubChem CID	7319
CAS	96-98-0
Molecular Weight (g/mol)	181.15
MDL Number	MFCD00007174
SMILES	CC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]
InChI Key	BBEWSMNRCUXQRF-UHFFFAOYSA-N
Molecular Formula	C₈H₇NO₄

5-Nitroisophthalic acid, 97+%

CAS: 618-88-2 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.129 MDL Number: MFCD00007254 InChI Key: NBDAHKQJXVLAID-UHFFFAOYSA-N Synonym: 5-nitroisophthalic acid,5-nitrobenzene-1,3-dicarboxylic acid,5-nitro-1,3-benzenedicarboxylic acid,1,3-benzenedicarboxylic acid, 5-nitro,5-nitroisophthalicacid,5-nitro-m-phthalic acid,unii-g7rz7lc76u,isophthalic acid, 5-nitro,1-nitrobenzene-3,5-dicarboxylic acid,g7rz7lc76u PubChem CID: 12069 SMILES: C1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O

Pricing and Availability
Specifications

PubChem CID	12069
CAS	618-88-2
Molecular Weight (g/mol)	211.129
MDL Number	MFCD00007254
SMILES	C1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O
Synonym	5-nitroisophthalic acid,5-nitrobenzene-1,3-dicarboxylic acid,5-nitro-1,3-benzenedicarboxylic acid,1,3-benzenedicarboxylic acid, 5-nitro,5-nitroisophthalicacid,5-nitro-m-phthalic acid,unii-g7rz7lc76u,isophthalic acid, 5-nitro,1-nitrobenzene-3,5-dicarboxylic acid,g7rz7lc76u
InChI Key	NBDAHKQJXVLAID-UHFFFAOYSA-N
Molecular Formula	C8H5NO6

3,5-Dinitrobenzoic acid, 98+%

CAS: 99-34-3 Molecular Formula: C7H4N2O6 Molecular Weight (g/mol): 212.12 MDL Number: MFCD00007253 InChI Key: VYWYYJYRVSBHJQ-UHFFFAOYSA-N Synonym: 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 PubChem CID: 7433 ChEBI: CHEBI:73914 IUPAC Name: 3,5-dinitrobenzoic acid SMILES: OC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O

Pricing and Availability
Specifications

PubChem CID	7433
CAS	99-34-3
Molecular Weight (g/mol)	212.12
ChEBI	CHEBI:73914
MDL Number	MFCD00007253
SMILES	OC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O
Synonym	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
IUPAC Name	3,5-dinitrobenzoic acid
InChI Key	VYWYYJYRVSBHJQ-UHFFFAOYSA-N
Molecular Formula	C7H4N2O6

3-Chloro-2-nitrobenzoic acid, 97%

CAS: 4771-47-5 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.562 MDL Number: MFCD00007087 InChI Key: VCHSXYHBMFKRBK-UHFFFAOYSA-N Synonym: 3-chloro-2-nitrobenzoic acid,benzoic acid, 3-chloro-2-nitro,3-chloro-2-nitrobenzoicacid,3-chloro-2-nitro-benzoic acid,chlornitrobenzoesaure,pubchem11043,chloro-2-nitrobenzoic acid,acmc-209ka6,3-chloro2-nitrobenzoic acid,ksc237s1n PubChem CID: 20902 SMILES: C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])C(=O)O

Pricing and Availability
Specifications

PubChem CID	20902
CAS	4771-47-5
Molecular Weight (g/mol)	201.562
MDL Number	MFCD00007087
SMILES	C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])C(=O)O
Synonym	3-chloro-2-nitrobenzoic acid,benzoic acid, 3-chloro-2-nitro,3-chloro-2-nitrobenzoicacid,3-chloro-2-nitro-benzoic acid,chlornitrobenzoesaure,pubchem11043,chloro-2-nitrobenzoic acid,acmc-209ka6,3-chloro2-nitrobenzoic acid,ksc237s1n
InChI Key	VCHSXYHBMFKRBK-UHFFFAOYSA-N
Molecular Formula	C7H4ClNO4

Methyl 4-amino-3-bromo-5-nitrobenzoate, 97%, Thermo Scientific Chemicals

CAS: 105655-17-2 Molecular Formula: C8H7BrN2O4 Molecular Weight (g/mol): 275.058 MDL Number: MFCD08443938 InChI Key: PRTLMEWWYBJZPN-UHFFFAOYSA-N Synonym: methyl 4-amino-3-bromo-5-nitrobenzenecarboxylate,benzoic acid, 4-amino-3-bromo-5-nitro-, methyl ester,acmc-20aq1i,methylaminobromonitrobenzenecarboxylate,3-nitro-4-amino-5-bromobenzoic acid methyl ester,benzoicacid,4-amino-3-bromo-5-nitro-,methylester,4-amino-3-bromo-5-nitro-benzoic acid methyl ester PubChem CID: 13685347 IUPAC Name: methyl 4-amino-3-bromo-5-nitrobenzoate SMILES: COC(=O)C1=CC(=C(C(=C1)Br)N)[N+](=O)[O-]

Pricing and Availability
Specifications

PubChem CID	13685347
CAS	105655-17-2
Molecular Weight (g/mol)	275.058
MDL Number	MFCD08443938
SMILES	COC(=O)C1=CC(=C(C(=C1)Br)N)[N+](=O)[O-]
Synonym	methyl 4-amino-3-bromo-5-nitrobenzenecarboxylate,benzoic acid, 4-amino-3-bromo-5-nitro-, methyl ester,acmc-20aq1i,methylaminobromonitrobenzenecarboxylate,3-nitro-4-amino-5-bromobenzoic acid methyl ester,benzoicacid,4-amino-3-bromo-5-nitro-,methylester,4-amino-3-bromo-5-nitro-benzoic acid methyl ester
IUPAC Name	methyl 4-amino-3-bromo-5-nitrobenzoate
InChI Key	PRTLMEWWYBJZPN-UHFFFAOYSA-N
Molecular Formula	C8H7BrN2O4

Methyl 2-chloro-4-nitrobenzoate, 98%, Thermo Scientific™

Pricing and Availability

2-Chloro-3-nitrobenzoic acid, 98%

CAS: 3970-35-2 Molecular Formula: C₇H₄ClNO₄ Molecular Weight (g/mol): 201.57 MDL Number: MFCD00007069 InChI Key: JRQDVRIQJJPHEQ-UHFFFAOYSA-N Synonym: 2-chloro-3-nitrobenzoic acid,2-chloro-3-nitro-benzoic acid,2-chloro-3-nitrobenzoicacid,benzoic acid, 2-chloro-3-nitro,2-chloro-3-carboxynitrobenzene,nitrochlorbenzoesaure,pubchem2100,acmc-1ctvl,2-chloro-3-nitrobenzic acid,2-chloro-3-nitrobezoic acid PubChem CID: 19870 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)C(=O)O

Pricing and Availability
Specifications

PubChem CID	19870
CAS	3970-35-2
Molecular Weight (g/mol)	201.57
MDL Number	MFCD00007069
SMILES	C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)C(=O)O
Synonym	2-chloro-3-nitrobenzoic acid,2-chloro-3-nitro-benzoic acid,2-chloro-3-nitrobenzoicacid,benzoic acid, 2-chloro-3-nitro,2-chloro-3-carboxynitrobenzene,nitrochlorbenzoesaure,pubchem2100,acmc-1ctvl,2-chloro-3-nitrobenzic acid,2-chloro-3-nitrobezoic acid
InChI Key	JRQDVRIQJJPHEQ-UHFFFAOYSA-N
Molecular Formula	C₇H₄ClNO₄

4-Methoxy-3-nitrobenzoic acid, 98%, Thermo Scientific™

CAS: 89-41-8 Molecular Formula: C₈H₇NO₅ Molecular Weight (g/mol): 197.15 MDL Number: MFCD00007256 InChI Key: ANXBDAFDZSXOPQ-UHFFFAOYSA-N Synonym: 4-methoxy-3-nitrobenzoic acid,3-nitro-4-methoxybenzoic acid,3-nitro-p-anisic acid,benzoic acid, 4-methoxy-3-nitro,unii-dd71o31olz,p-anisic acid, 3-nitro,dd71o31olz,4-methoxy-3-nitro benzoic acid,4-methoxy-3-nitro-benzoic acid,4-methoxy-3-nitrobenzoicacid PubChem CID: 66640 SMILES: COC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

Pricing and Availability
Specifications

PubChem CID	66640
CAS	89-41-8
Molecular Weight (g/mol)	197.15
MDL Number	MFCD00007256
SMILES	COC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]
Synonym	4-methoxy-3-nitrobenzoic acid,3-nitro-4-methoxybenzoic acid,3-nitro-p-anisic acid,benzoic acid, 4-methoxy-3-nitro,unii-dd71o31olz,p-anisic acid, 3-nitro,dd71o31olz,4-methoxy-3-nitro benzoic acid,4-methoxy-3-nitro-benzoic acid,4-methoxy-3-nitrobenzoicacid
InChI Key	ANXBDAFDZSXOPQ-UHFFFAOYSA-N
Molecular Formula	C₈H₇NO₅

3-Methyl-4-nitrobenzoic acid, 99%

CAS: 3113-71-1 Molecular Formula: C₈H₇NO₄ Molecular Weight (g/mol): 181.15 MDL Number: MFCD00007168 InChI Key: XDTTUTIFWDAMIX-UHFFFAOYSA-N PubChem CID: 18370 SMILES: CC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]

Pricing and Availability
Specifications

PubChem CID	18370
CAS	3113-71-1
Molecular Weight (g/mol)	181.15
MDL Number	MFCD00007168
SMILES	CC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]
InChI Key	XDTTUTIFWDAMIX-UHFFFAOYSA-N
Molecular Formula	C₈H₇NO₄

Methyl 3-methoxy-2-nitrobenzoate, 98%, Thermo Scientific Chemicals

CAS: 5307-17-5 Molecular Formula: C9H9NO5 Molecular Weight (g/mol): 211.17 MDL Number: MFCD00051968 InChI Key: FDQQRLPHAAICCR-UHFFFAOYSA-N Synonym: benzoic acid, 3-methoxy-2-nitro-, methyl ester,3-methoxy-2-nitrobenzoic acid methyl ester,m-anisic acid, 2-nitro-, methyl ester,maybridge1_002124,cbmicro_008502,methyl 2-nitro-m-anisate,methyl 3-methoxy-2-nitro-benzoate,2-nitro-m-anisic acid methyl ester,3-methoxy-2-nitro-benzoic acid methyl ester PubChem CID: 79195 IUPAC Name: methyl 3-methoxy-2-nitrobenzoate SMILES: COC(=O)C1=CC=CC(OC)=C1[N+]([O-])=O

Pricing and Availability
Specifications

PubChem CID	79195
CAS	5307-17-5
Molecular Weight (g/mol)	211.17
MDL Number	MFCD00051968
SMILES	COC(=O)C1=CC=CC(OC)=C1[N+]([O-])=O
Synonym	benzoic acid, 3-methoxy-2-nitro-, methyl ester,3-methoxy-2-nitrobenzoic acid methyl ester,m-anisic acid, 2-nitro-, methyl ester,maybridge1_002124,cbmicro_008502,methyl 2-nitro-m-anisate,methyl 3-methoxy-2-nitro-benzoate,2-nitro-m-anisic acid methyl ester,3-methoxy-2-nitro-benzoic acid methyl ester
IUPAC Name	methyl 3-methoxy-2-nitrobenzoate
InChI Key	FDQQRLPHAAICCR-UHFFFAOYSA-N
Molecular Formula	C9H9NO5

Nitrobenzoic acids and derivatives

Filtered Search Results

Narrow Results