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4-Methyl-3-nitropyrazole

4-Methyl-3-nitropyrazole structure

CAS No:
38858-90-1
Formula:
C4H5N3O2
Chemical Name:
4-Methyl-3-nitropyrazole
Synonyms:
4-Methyl-3-nitro-1H-pyrazole;4-Methyl-3-nitropyrazole;1H-Pyrazole, 4-methyl-3-nitro-;4-methyl-3-nitro-2H-pyrazole;4-Methyl-5-nitro-pyrazole

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4-Methyl-3-nitropyrazole Basic Attributes

Molecular Weight：

127.1

Exact Mass：

127.038176411 g/mol

DSSTox ID：

DTXSID60341486

HScode：

2933199090

Characteristics

PSA：

74.50000

XLogP3：

1.14950

Density：

1.426±0.06 g/cm3

Boiling Point：

317.2±22.0 °C(Predicted)

PKA：

9.27±0.50

Safety Information

GHS Classification：

|Warning|H302 (100%): 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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

4-Methyl-3-nitropyrazole Use and Manufacturing

4-Methyl-3-nitropyrazole is used in the synthesis of 4-(N-azolyl)-3,5-dinitropyrazoles.

Computed Properties

Molecular Weight:127.10
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:127.038176411
Monoisotopic Mass:127.038176411
Topological Polar Surface Area:74.5
Heavy Atom Count:9
Complexity:122
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Methyl-3-nitropyrazole

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties

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