3,5-Dimethyl-4-nitro-1H-pyrazole

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Names

[ CAS No. ]:
14531-55-6

[ Name ]:
3,5-Dimethyl-4-nitro-1H-pyrazole

[Synonym ]:
3,5-Dimethyl-4-nitro-1H-pyrazole
MFCD00052513
1H-Pyrazole, 3,5-dimethyl-4-nitro-

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
304.5±37.0 °C at 760 mmHg

[ Melting Point ]:
123-125ºC

[ Molecular Formula ]:
C5H7N3O2

[ Molecular Weight ]:
141.128

[ Flash Point ]:
138.0±26.5 °C

[ Exact Mass ]:
141.053833

[ PSA ]:
74.50000

[ LogP ]:
1.51

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.578

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UQ6585000
CHEMICAL NAME :
Pyrazole, 3,5-dimethyl-4-nitro-
CAS REGISTRY NUMBER :
14531-55-6
BEILSTEIN REFERENCE NO. :
0125474
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C5-H7-N3-O2
MOLECULAR WEIGHT :
141.15
WISWESSER LINE NOTATION :
T5MNJ C1 DNW E1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
325 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

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

  • 3,5-Dimethylpyrazole
  • 3,5-Dimethyl-4-iodopyrazole
  • 1H-Pyrazole-1-carboximidamide,3,5-dimethyl-N-nitro-
  • 2,4-Pentandione
  • 1H-Pyrazole, 1-(difluoromethyl)-3,5-dimethyl
  • 2,2-difluoro-4,6-dimethyl-5-nitro-2H-1l3,3,2l4-dioxaborinine
  • 3,5-Dimethyl-4-nitrosopyrazole
  • 3,5-Dimethyl-4-nitroisoxazole
  • 1H-Pyrazole,3,5-dimethyl-1-nitro-(9CI)
  • 2,3,4-Pentanetrione,3-oxime

DownStream

  • 1-ethenyl-3,5-dimethyl-4-nitropyrazole
  • 1,3,5-Trimethyl-1H-pyrazol-4-amine
  • 4-amino-3,5-dimethyl-pyrazol
  • 1,3,5-Trimethyl-4-nitro-1H-pyrazole
  • 3,5-Dimethyl-4-iodopyrazole
  • 3,5-dimethyl-1,4-dinitropyrazole
  • 3,5-dimethyl-1H-pyrazole-4-diazonium,chloride
  • 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)isoindole-1,3-dione
  • 4-Nitro-1H-pyrazole-3,5-dicarboxylic acid

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

  • 1-ETHYL-3,5-DIMETHYL-4-NITRO-1H-PYRAZOLE
  • 1-benzyl-3,5-dimethyl-4-nitro-1H-pyrazole
  • 1-CHLOROMETHYL-3,5-DIMETHYL-4-NITRO-1H-PYRAZOLE
  • 1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
  • 1-(4-Chlorobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
  • 1-(2-Chlorobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole