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3,5-Dimethyl-4-nitropyrazole

3,5-Dimethyl-4-nitropyrazole structure

CAS No:
14531-55-6
Formula:
C5H7N3O2
Chemical Name:
3,5-Dimethyl-4-nitropyrazole
Synonyms:
1H-Pyrazole,3,5-dimethyl-4-nitro-;Pyrazole,3,5-dimethyl-4-nitro-;3,5-Dimethyl-4-nitro-1H-pyrazole;4-Nitro-3,5-dimethylpyrazole;3,5-Dimethyl-4-nitropyrazole
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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3,5-Dimethyl-4-nitropyrazole Basic Attributes

Molecular Weight：

141.13

Exact Mass：

141.13

DSSTox ID：

DTXSID50162980

HScode：

2933199090

Characteristics

PSA：

74.50000

XLogP3：

1.45790

Appearance：

pale white crystal powder

Density：

1.339±0.06 g/cm3

Melting Point：

123-124 °C

Boiling Point：

325°C(lit.)

Flash Point：

138ºC

Refractive Index：

1.578

Vapor Pressure：

0.00157mmHg at 25°C

PKA：

10.75±0.50

Safety Information

Hazard category：

IRRITANT

RTECS Number：

UQ6585000

GHS Classification：

|Warning|H302 (95.35%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

3,5-dimethyl-4-nitropyrazole

Computed Properties

Molecular Weight:141.13
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:141.053826475
Monoisotopic Mass:141.053826475
Topological Polar Surface Area:74.5
Heavy Atom Count:10
Complexity:144
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

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Guide of 3,5-Dimethyl-4-nitropyrazole

Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
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