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3-Iodo-1H-pyrazole

3-Iodo-1H-pyrazole structure

CAS No:
4522-35-4
Formula:
C3H3IN2
Chemical Name:
3-Iodo-1H-pyrazole
Synonyms:
3-Iodo-1H-pyrazole;3-Iodopyrazole;3-Iodo-1H-pyrazole≥ 98% (GC);3-Iodo-1H-Pyrazole(WX638030);1H-Pyrazole, 3-iodo-
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

White to off-white crystalline solid

3-Iodo-1H-pyrazole Basic Attributes

Molecular Weight：

193.971

Exact Mass：

193.934082

HScode：

2933199090

Characteristics

PSA：

28.7

XLogP3：

0.9

Density：

2.3±0.1 g/cm3

Melting Point：

74-75°

Boiling Point：

291.9°C at 760 mmHg

Flash Point：

130.3±19.8 °C

Refractive Index：

1.688

Water Solubility：

Insoluble in water.

Safety Information

Hazard category：

IRRITANT

hazard class code：

Marks：

GHS Classification：

|Warning|H302 (33.33%): 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 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:193.97
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:193.93410
Monoisotopic Mass:193.93410
Topological Polar Surface Area:28.7
Heavy Atom Count:6
Complexity:48.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 4522-35-4

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