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G-IODOBUTYRONITRILE

G-IODOBUTYRONITRILE structure

CAS No:
6727-73-7
Formula:
C4H6IN
Chemical Name:
G-IODOBUTYRONITRILE
Synonyms:
G-IODOBUTYRONITRILE;4-Iodobutyronitrile;4-Iodobutyronitrile,97%;Gamma-Iodobutyronitrile;4-Iodobutyronitrile4-Iodobutanenitrile
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Clear light yellow liquid

G-IODOBUTYRONITRILE Basic Attributes

Molecular Weight：

195.00200

Exact Mass：

194.95400

NSC Number：

142687

DSSTox ID：

DTXSID80301380

HScode：

2926909090

Characteristics

PSA：

23.79000

XLogP3：

1.72518

Density：

1.826g/cm3

Boiling Point：

231ºC at 760 mmHg

Flash Point：

93.5ºC

Refractive Index：

1.539

Safety Information

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:195.00
XLogP3:1.6
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:194.95450
Monoisotopic Mass:194.95450
Topological Polar Surface Area:23.8
Heavy Atom Count:6
Complexity:61.2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes