4-Nitro-1-phenyl-1H-pyrazole-3-carboxylic acid

Modify Date: 2025-08-25 16:29:39

4-Nitro-1-phenyl-1H-pyrazole-3-carboxylic acid Structure
4-Nitro-1-phenyl-1H-pyrazole-3-carboxylic acid structure
Common Name 4-Nitro-1-phenyl-1H-pyrazole-3-carboxylic acid
CAS Number 701917-03-5 Molecular Weight 233.18000
Density N/A Boiling Point 455.1±30.0°C
Molecular Formula C10H7N3O4 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 4-nitro-1-phenylpyrazole-3-carboxylic acid
Synonym More Synonyms

 Chemical & Physical Properties

Boiling Point 455.1±30.0°C
Molecular Formula C10H7N3O4
Molecular Weight 233.18000
Exact Mass 233.04400
PSA 100.94000
LogP 2.00190
InChIKey HZENRRKFQYHSJU-UHFFFAOYSA-N
SMILES O=C(O)c1nn(-c2ccccc2)cc1[N+](=O)[O-]

 Safety Information

Hazard Codes Xi
HS Code 2933199090

 Synthetic Route

~97%

4-Nitro-1-phenyl-1H-pyrazole-3-carboxylic acid Structure

4-Nitro-1-pheny...

CAS#:701917-03-5

Literature: MERCK and CO., INC.; ATON PHARMA, INC. Patent: WO2007/2248 A2, 2007 ; Location in patent: Page/Page column 92 ; WO 2007/002248 A2

~86%

4-Nitro-1-phenyl-1H-pyrazole-3-carboxylic acid Structure

4-Nitro-1-pheny...

CAS#:701917-03-5

Literature: F. HOFFMANN-LA ROCHE AG; BLEICHER, Konrad; FLOHR, Alexander; GROEBKE ZBINDEN, Katrin; GRUBER, Felix; KOERNER, Matthias; KUHN, Bernd; PETERS, Jens-Uwe; RODRIGUEZ SARMIENTO, Rosa Maria Patent: WO2011/154327 A1, 2011 ; Location in patent: Page/Page column 135 ; WO 2011/154327 A1

~%

4-Nitro-1-phenyl-1H-pyrazole-3-carboxylic acid Structure

4-Nitro-1-pheny...

CAS#:701917-03-5

Literature: MERCK and CO., INC. Patent: WO2007/55941 A2, 2007 ; WO 2007/055941 A2

 Customs

HS Code 2933199090
Summary 2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

1H-Pyrazole-3-carboxylic acid,4-nitro-1-phenyl
4-nitro-1-phenyl-1H-pyrazole-3-carboxylic acid
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