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4-Nitropyrazole

4-Nitropyrazole structure

CAS No:
2075-46-9
Formula:
C3H3N3O2
Chemical Name:
4-Nitropyrazole
Synonyms:
1H-Pyrazole,4-nitro-;Pyrazole,4-nitro-;4-Nitro-1H-pyrazole;4-Nitropyrazole;116421-38-6
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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4-Nitropyrazole Basic Attributes

Molecular Weight：

113.08

Exact Mass：

113.07

DSSTox ID：

DTXSID10174827

HScode：

2933199090

Characteristics

PSA：

74.5

XLogP3：

0.6

Appearance：

pale white crystal powder

Density：

1.6±0.1 g/cm3

Melting Point：

161-162 °C @ Solvent: Benzene

Boiling Point：

333.9°C at 760 mmHg

Flash Point：

155.8±20.4 °C

Refractive Index：

1.612

Vapor Pressure：

0mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

hazard class code：

R22

safety instructions：

S26-S39

RTECS Number：

UQ7880000

Marks：

Xn: Harmful;Xi: Irritant;

Precautionary statement(s)：

P280-P305 + P351 + P338

Hazard Statements：

H302-H318

GHS Classification：

|Danger|H302 (91.3%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 47 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Nitropyrazole Use and Manufacturing

lH-Pyrazol-4-amine (Compound 0113-42)Pyrazole (2.04 g, 30 mmol) was added in portions to concentrated sulfuric acid (15 rnL) at below 4O2a (5.Og, 73.5mmol) was added in portions to H SYNTHESIS OF REAGENTS 3-BROMO-7-CHLORO-5-METHYL-lH-PYRAZOLO[4, 3-b]PYRiDiNEAND 7-BENZYLOXY-S-BROMO-S-METHYL- lH-PYRAZOLO[4, 3-b]PYRIDINE; Step IA; Pyrazole (30.0 g, 441 mmol) was added portionwise to sulfuric acid (220 raL, 97percent) in an ice-bath. The mixture was heated at 55 Pyrazole (8.5 g) and cold concentrated nitric acid (18 cm4-nitro-1H-pyrazole Example 41c General procedure: To iodopyrazole (1 mmol) dissolved in THF (10 mL), Fuajasite (250 mg) was added. Nitric acid (d 1.52 g/cm1-Nitropyrazole (1 g) was slowly added to a round-bottomed flask containing H

Computed Properties

Molecular Weight:113.08
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:113.022526347
Monoisotopic Mass:113.022526347
Topological Polar Surface Area:74.5
Heavy Atom Count:8
Complexity:99.2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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