Nitrobenzoic acids and derivatives

91 – 105 of 539 results

Ethyl 4-nitrobenzoate, 98%

CAS: 99-77-4 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 MDL Number: MFCD00007351 InChI Key: PHWSCBWNPZDYRI-UHFFFAOYSA-N Synonym: 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 PubChem CID: 7457 IUPAC Name: ethyl 4-nitrobenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

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PubChem CID	7457
CAS	99-77-4
Molecular Weight (g/mol)	195.174
MDL Number	MFCD00007351
SMILES	CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
Synonym	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
IUPAC Name	ethyl 4-nitrobenzoate
InChI Key	PHWSCBWNPZDYRI-UHFFFAOYSA-N
Molecular Formula	C9H9NO4

Methyl 2-chloro-4-nitrobenzoate, 98%

CAS: 13324-11-3 Molecular Formula: C8H6ClNO4 Molecular Weight (g/mol): 215.59 MDL Number: MFCD00017013 InChI Key: PICNSXCJRMYANX-UHFFFAOYSA-N Synonym: 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 PubChem CID: 83343 IUPAC Name: methyl 2-chloro-4-nitrobenzoate SMILES: COC(=O)C1=CC=C(C=C1Cl)[N+]([O-])=O

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PubChem CID	83343
CAS	13324-11-3
Molecular Weight (g/mol)	215.59
MDL Number	MFCD00017013
SMILES	COC(=O)C1=CC=C(C=C1Cl)[N+]([O-])=O
Synonym	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
IUPAC Name	methyl 2-chloro-4-nitrobenzoate
InChI Key	PICNSXCJRMYANX-UHFFFAOYSA-N
Molecular Formula	C8H6ClNO4

2-Chloro-5-nitrobenzoic Acid, 99+%

CAS: 2516-96-3 Molecular Formula: C₇H₄ClNO₄ Molecular Weight (g/mol): 201.56 MDL Number: MFCD00007294 InChI Key: QUEKGYQTRJVEQC-UHFFFAOYSA-N Synonym: 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 PubChem CID: 17287 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl

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PubChem CID	17287
CAS	2516-96-3
Molecular Weight (g/mol)	201.56
MDL Number	MFCD00007294
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl
Synonym	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
InChI Key	QUEKGYQTRJVEQC-UHFFFAOYSA-N
Molecular Formula	C₇H₄ClNO₄

Methyl 3-methyl-2-nitrobenzoate, 98%

CAS: 5471-82-9 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 MDL Number: MFCD01003947 InChI Key: NJHDBIXFFZVJGZ-UHFFFAOYSA-N Synonym: methyl3-methyl-2-nitrobenzoate,methyl 3-methyl-2-nitrobenzenecarboxylate,benzoic acid, 3-methyl-2-nitro-, methyl ester,2-nitro-3-methylbenzoic acid, methyl ester,3-methyl-2-nitrobenzoic acid methyl ester,pubchem10932,acmc-1ap0b,ksc495q9t,methyl 2-nitro-3-methylbenzoate,methyl 3-methyl-2-nitro-benzoate PubChem CID: 79621 IUPAC Name: methyl 3-methyl-2-nitrobenzoate SMILES: CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OC

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Specifications

PubChem CID	79621
CAS	5471-82-9
Molecular Weight (g/mol)	195.174
MDL Number	MFCD01003947
SMILES	CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OC
Synonym	methyl3-methyl-2-nitrobenzoate,methyl 3-methyl-2-nitrobenzenecarboxylate,benzoic acid, 3-methyl-2-nitro-, methyl ester,2-nitro-3-methylbenzoic acid, methyl ester,3-methyl-2-nitrobenzoic acid methyl ester,pubchem10932,acmc-1ap0b,ksc495q9t,methyl 2-nitro-3-methylbenzoate,methyl 3-methyl-2-nitro-benzoate
IUPAC Name	methyl 3-methyl-2-nitrobenzoate
InChI Key	NJHDBIXFFZVJGZ-UHFFFAOYSA-N
Molecular Formula	C9H9NO4

4-Bromo-3-nitrobenzoic acid, 95%

CAS: 6319-40-0 Molecular Formula: C7H4BrNO4 Molecular Weight (g/mol): 246.016 MDL Number: MFCD00272137 InChI Key: RVCTZJVBWNFYRU-UHFFFAOYSA-N Synonym: 4-bromo-3-nitrobenzoic acid,3-nitro-4-bromobenzoic acid,benzoic acid, 4-bromo-3-nitro,4-bromo-3-nitro-benzoic acid,zlchem 531,pubchem2194,acmc-209ndq,ksc353s1b,4-bromo-3-nitrobenzoic acid # PubChem CID: 232986 SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])Br

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PubChem CID	232986
CAS	6319-40-0
Molecular Weight (g/mol)	246.016
MDL Number	MFCD00272137
SMILES	C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])Br
Synonym	4-bromo-3-nitrobenzoic acid,3-nitro-4-bromobenzoic acid,benzoic acid, 4-bromo-3-nitro,4-bromo-3-nitro-benzoic acid,zlchem 531,pubchem2194,acmc-209ndq,ksc353s1b,4-bromo-3-nitrobenzoic acid #
InChI Key	RVCTZJVBWNFYRU-UHFFFAOYSA-N
Molecular Formula	C7H4BrNO4

3-Nitrosalicylic acid, 98%

CAS: 85-38-1 Molecular Formula: C₇H₅NO₅ Molecular Weight (g/mol): 183.12 InChI Key: WWWFHFGUOIQNJC-UHFFFAOYSA-N Synonym: 3-nitrosalicylic acid,2-hydroxy-3-nitrobenzoic acid,benzoic acid, 2-hydroxy-3-nitro,salicylic acid, 3-nitro,2-hydroxy-3-nitro-benzoic acid,3-nitro-salicylsaure,3-nitrosalicyclic acid,wln: wnr bq cvq,acmc-209q5q PubChem CID: 6807 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)O

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PubChem CID	6807
CAS	85-38-1
Molecular Weight (g/mol)	183.12
SMILES	C1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)O
Synonym	3-nitrosalicylic acid,2-hydroxy-3-nitrobenzoic acid,benzoic acid, 2-hydroxy-3-nitro,salicylic acid, 3-nitro,2-hydroxy-3-nitro-benzoic acid,3-nitro-salicylsaure,3-nitrosalicyclic acid,wln: wnr bq cvq,acmc-209q5q
InChI Key	WWWFHFGUOIQNJC-UHFFFAOYSA-N
Molecular Formula	C₇H₅NO₅

2-Methyl-6-nitrobenzoic acid, 99%, Thermo Scientific™

CAS: 13506-76-8 Molecular Formula: C₈H₇NO₄ Molecular Weight (g/mol): 181.15 InChI Key: CCXSGQZMYLXTOI-UHFFFAOYSA-N Synonym: 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 PubChem CID: 16097 SMILES: CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O

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PubChem CID	16097
CAS	13506-76-8
Molecular Weight (g/mol)	181.15
SMILES	CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O
Synonym	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
InChI Key	CCXSGQZMYLXTOI-UHFFFAOYSA-N
Molecular Formula	C₈H₇NO₄

Sodium 3-nitrobenzoate, 94%, may contain up to ca 10% water

CAS: 827-95-2 Molecular Formula: C7H4NNaO4 Molecular Weight (g/mol): 189.10 MDL Number: MFCD00150535,MFCD00051097 InChI Key: MUADFEZFSKAZLT-UHFFFAOYSA-M Synonym: sodium 3-nitrobenzoate,3-nitrobenzoic acid sodium salt,benzoic acid, 3-nitro-, sodium salt,unii-i1eq837b3j,m-nitrobenzoic acid sodium salt,sodium m-nitrobenzoate,benzoic acid, 3-nitro-, sodium salt 1:1,3-nitrobenzoic acid, sodium salt,acmc-209pqe,dsstox_cid_24733 PubChem CID: 70014 IUPAC Name: sodium;3-nitrobenzoate SMILES: [Na+].[O-]C(=O)C1=CC=CC(=C1)[N+]([O-])=O

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PubChem CID	70014
CAS	827-95-2
Molecular Weight (g/mol)	189.10
MDL Number	MFCD00150535,MFCD00051097
SMILES	[Na+].[O-]C(=O)C1=CC=CC(=C1)[N+]([O-])=O
Synonym	sodium 3-nitrobenzoate,3-nitrobenzoic acid sodium salt,benzoic acid, 3-nitro-, sodium salt,unii-i1eq837b3j,m-nitrobenzoic acid sodium salt,sodium m-nitrobenzoate,benzoic acid, 3-nitro-, sodium salt 1:1,3-nitrobenzoic acid, sodium salt,acmc-209pqe,dsstox_cid_24733
IUPAC Name	sodium;3-nitrobenzoate
InChI Key	MUADFEZFSKAZLT-UHFFFAOYSA-M
Molecular Formula	C7H4NNaO4

Ethyl 2-nitrobenzoate, 97%

CAS: 610-34-4 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.17 MDL Number: MFCD00014696 InChI Key: CPNMAYYYYSWTIV-UHFFFAOYSA-N Synonym: 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 PubChem CID: 69123 IUPAC Name: ethyl 2-nitrobenzoate SMILES: CCOC(=O)C1=CC=CC=C1[N+]([O-])=O

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PubChem CID	69123
CAS	610-34-4
Molecular Weight (g/mol)	195.17
MDL Number	MFCD00014696
SMILES	CCOC(=O)C1=CC=CC=C1[N+]([O-])=O
Synonym	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
IUPAC Name	ethyl 2-nitrobenzoate
InChI Key	CPNMAYYYYSWTIV-UHFFFAOYSA-N
Molecular Formula	C9H9NO4

100

1-Methyl-1,2,3,4-tetrahydroisoquinoline, 95%

CAS: 4965-09-7 MDL Number: MFCD00798989

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CAS	4965-09-7
MDL Number	MFCD00798989

101

2-Chloro-3-nitrobenzoic acid, 98%

CAS: 3970-35-2 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.562 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

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Specifications

PubChem CID	19870
CAS	3970-35-2
Molecular Weight (g/mol)	201.562
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

102

Methyl 3-fluoro-4-nitrobenzoate, 97%

CAS: 185629-31-6 Molecular Formula: C8H6FNO4 Molecular Weight (g/mol): 199.137 MDL Number: MFCD08444027 InChI Key: FKMZNQQOPCCUTD-UHFFFAOYSA-N PubChem CID: 592761 IUPAC Name: methyl 3-fluoro-4-nitrobenzoate SMILES: COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])F

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Specifications

PubChem CID	592761
CAS	185629-31-6
Molecular Weight (g/mol)	199.137
MDL Number	MFCD08444027
SMILES	COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])F
IUPAC Name	methyl 3-fluoro-4-nitrobenzoate
InChI Key	FKMZNQQOPCCUTD-UHFFFAOYSA-N
Molecular Formula	C8H6FNO4

103

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

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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

104

2-Fluoro-4-nitrobenzoic acid, 95+%, Thermo Scientific™

CAS: 403-24-7 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 InChI Key: MMWFMFZFCKADEL-UHFFFAOYSA-N Synonym: 2-fluoro-4-nitrobenzoic acid,2-fluoro-4-nitrobenzenecarboxylic acid,2-fluoro-4-nitrobenzoicacid,2-fluoro-4-nitro-benzoic acid,4-carboxy-3-fluoronitrobenzene,benzoic acid, 2-fluoro-4-nitro,pubchem1310,acmc-1cts9,2-fluoro4-nitrobenzoic acid,2-fluor-4-nitro-benzoesaure PubChem CID: 302679 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])F)C(=O)O

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Specifications

PubChem CID	302679
CAS	403-24-7
Molecular Weight (g/mol)	185.11
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])F)C(=O)O
Synonym	2-fluoro-4-nitrobenzoic acid,2-fluoro-4-nitrobenzenecarboxylic acid,2-fluoro-4-nitrobenzoicacid,2-fluoro-4-nitro-benzoic acid,4-carboxy-3-fluoronitrobenzene,benzoic acid, 2-fluoro-4-nitro,pubchem1310,acmc-1cts9,2-fluoro4-nitrobenzoic acid,2-fluor-4-nitro-benzoesaure
InChI Key	MMWFMFZFCKADEL-UHFFFAOYSA-N
Molecular Formula	C7H4FNO4

105

MilliporeSigma™ 5,5'-Dithio-bis-(2-nitrobenzoic Acid), Calbiochem™,

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

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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

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