1-Methyl-4-nitropyrazole

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Names

[ CAS No. ]:
3994-50-1

[ Name ]:
1-Methyl-4-nitropyrazole

[Synonym ]:
1-Methyl-4-nitro-1H-pyrazole
1-Methyl-4-Nitropyrazole
1-Methyl-2-hydroxymethyl-pyrrolidin
1-methyl-3-hydroxymethylpyrrolidine
methyl-1 methanol-3 pyrrolidine
4-nitro-1-methylpyrazole
1-Methyl-4-nitropyrazol
3-Pyrrolidinemethanol,1-methyl
methyl-1 nitro-4 pyrazole

Chemical & Physical Properties

[ Density]:
1.44g/cm3

[ Boiling Point ]:
244.4ºC at 760 mmHg

[ Molecular Formula ]:
C4H5N3O2

[ Molecular Weight ]:
127.10100

[ Flash Point ]:
101.6ºC

[ Exact Mass ]:
127.03800

[ PSA ]:
63.64000

[ LogP ]:
0.85150

[ Index of Refraction ]:
1.618

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UQ7420000
CHEMICAL NAME :
Pyrazole, 1-methyl-4-nitro-
CAS REGISTRY NUMBER :
3994-50-1
LAST UPDATED :
199410
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C4-H5-N3-O2
MOLECULAR WEIGHT :
127.12
WISWESSER LINE NOTATION :
T5NNJ A1 DNW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
2500 ug/plate
REFERENCE :
ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 8,611,1986

Safety Information

[ Hazard Codes ]:
Xi

[ HS Code ]:
2933199090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 4-Nitro-1H-pyrazole
  • Dimethyl sulfate
  • methyl iodide
  • 4-Iodo-1-methyl-1H-pyrazole
  • monomethylhydrazine
  • 2-nitro-3-(propylamino)prop-2-enal
  • 1-Methylpyrazole
  • Sodium nitromalonaldehyde
  • 1-Methyl-4-nitro-1H-pyrazole-5-carboxylic acid

DownStream

  • 1-Methyl-1H-pyrazol-4-ylamine
  • tert-Butyl (1-methyl-1H-pyrazol-4-yl)carbamate
  • 5-benzenesulfonylmethyl-1-methyl-4-nitro-1H-pyrazole
  • 2-(benzenesulfonylmethyl)-4-chloro-1-nitrobenzene
  • 5-Chloro-1-methyl-4-nitro-1H-pyrazole

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%

Related Compounds

  • 5-amino-1-methyl-4-nitropyrazole
  • 5-bromo-1-methyl-4-nitropyrazole
  • 3-bromo-1-methyl-4-nitropyrazole
  • 3-acetyl-1-methyl-4-nitropyrazole
  • 5-chloro-1-methyl-4-nitropyrazole
  • 1-methyl-4-nitropyrazole-3,5-diamine
  • 4,4-difluoro-1-(3-phenyl-1H-pyrazol-4-yl)cyclohexan-1-amine
  • Methyl 3-(4,5-difluoro-2-methoxyphenyl)-3-oxopropanoate
  • 3-(2,6-Difluorophenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
  • 5-Methoxy-5-oxo-3-(pyridin-4-yl)pentanoic acid
  • (1S)-3-amino-1-(5-methyl-2-nitrophenyl)propan-1-ol
  • 3-(5-Methyl-2-nitrophenyl)azetidine
  • 1-[2-(Pyrazin-2-yl)propan-2-yl]cyclopropan-1-amine
  • 2-Methoxy-3-(pyrazin-2-yl)propanoic acid
  • 2-(6-Fluoropyridin-3-yl)cyclopropane-1-carboxylic acid
  • Methyl 2-amino-2-(2,6-dimethoxyphenyl)acetate
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