2-(4-methyl-3-nitrophenyl)acetic acid

Modify Date: 2025-08-25 13:10:20

2-(4-methyl-3-nitrophenyl)acetic acid Structure
2-(4-methyl-3-nitrophenyl)acetic acid structure
Common Name 2-(4-methyl-3-nitrophenyl)acetic acid
CAS Number 54941-44-5 Molecular Weight 195.17200
Density 1.346g/cm3 Boiling Point 374.5ºC at 760 mmHg
Molecular Formula C9H9NO4 Melting Point N/A
MSDS N/A Flash Point 166.5ºC

 Names

Name 2-(4-methyl-3-nitrophenyl)acetic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.346g/cm3
Boiling Point 374.5ºC at 760 mmHg
Molecular Formula C9H9NO4
Molecular Weight 195.17200
Flash Point 166.5ºC
Exact Mass 195.05300
PSA 83.12000
LogP 2.05350
Index of Refraction 1.587
InChIKey WZNKBDUWSKJHEG-UHFFFAOYSA-N
SMILES Cc1ccc(CC(=O)O)cc1[N+](=O)[O-]

 Safety Information

Hazard Codes Xi
HS Code 2916399090

 Synthetic Route

~85%

2-(4-methyl-3-nitrophenyl)acetic acid Structure

2-(4-methyl-3-n...

CAS#:54941-44-5

Literature: Signal Pharmaceuticals, Inc. Patent: US6593322 B1, 2003 ;

~52%

2-(4-methyl-3-nitrophenyl)acetic acid Structure

2-(4-methyl-3-n...

CAS#:54941-44-5

Literature: Prasad, Rajendra; Bhaduri, A. P. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1982 , vol. 21, # 3 p. 247 - 249

~%

2-(4-methyl-3-nitrophenyl)acetic acid Structure

2-(4-methyl-3-n...

CAS#:54941-44-5

Literature: J. Gen. Chem. USSR (Engl. Transl.), , vol. 34, # 5 p. 1469 - 1473,1474 - 1477

~%

2-(4-methyl-3-nitrophenyl)acetic acid Structure

2-(4-methyl-3-n...

CAS#:54941-44-5

Literature: Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, , vol. 21, # 3 p. 247 - 249

~%

2-(4-methyl-3-nitrophenyl)acetic acid Structure

2-(4-methyl-3-n...

CAS#:54941-44-5

Literature: Journal fuer Praktische Chemie (Leipzig), , vol. <2> 44, p. 85

~%

2-(4-methyl-3-nitrophenyl)acetic acid Structure

2-(4-methyl-3-n...

CAS#:54941-44-5

Literature: J. Gen. Chem. USSR (Engl. Transl.), , vol. 34, # 5 p. 1469 - 1473,1474 - 1477

 Customs

HS Code 2916399090
Summary 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

3-nitro p-tolylacetic acid
CL4118
3-nitro-4-methylphenylacetic acid
4-methyl-3-nitrophenylacetic acid
3-Nitro-4-methyl-phenylessigsaeure
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