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4-Iodopyrazole

4-Iodopyrazole structure

CAS No:
3469-69-0
Formula:
C3H3IN2
Chemical Name:
4-Iodopyrazole
Synonyms:
1H-Pyrazole,4-iodo-;Pyrazole,4-iodo-;4-Iodo-1H-pyrazole;4-Iodopyrazole
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

White or off-white solid

4-iodopyrazole is a member of pyrazoles and an organoiodine compound.

4-Iodopyrazole Basic Attributes

Molecular Weight：

193.97

Exact Mass：

193.97

EC Number：

222-434-1

UNII：

F33UJD465Q

DSSTox ID：

DTXSID30188244

HScode：

29331990

Characteristics

PSA：

28.7

XLogP3：

1.7

Appearance：

White to off-white Crystalline Powder

Density：

2.3±0.1 g/cm3

Melting Point：

108-110 °C

Boiling Point：

291.8°C at 760 mmHg

Flash Point：

130.3±19.8 °C

Refractive Index：

1.688

Water Solubility：

soluble in water.

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

22-36/37/38

safety instructions：

RTECS Number：

UQ7145000

Marks：

Xn,Xi

Hazard note：

Irritant

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H302-H315-H319-H335

GHS Classification：

|Warning|H302 (91.49%): 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 47 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-iodopyrazole

4-Iodopyrazole Use and Manufacturing

4-Iodopyrazole is used in the synthesis of (pyrazolyl)oxobenzocycloheptapyridinyl acetamides that act as inhibitors of c-Met.

Computed Properties

Molecular Weight:193.97
XLogP3:1.7
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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