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4-Iodobenzonitrile

4-Iodobenzonitrile structure

CAS No:
3058-39-7
Formula:
C7H4IN
Chemical Name:
4-Iodobenzonitrile
Synonyms:
Benzonitrile,4-iodo-;Benzonitrile,p-iodo-;4-Iodobenzonitrile;p-Cyanoiodobenzene;p-Iodobenzonitrile;p-Cyanophenyl iodide;1-Cyano-4-iodobenzene;4-Cyanoiodobenzene;4-Iodocyanobenzene;4-Cyanophenyl iodide;NSC 87894;4-Cyano-1-iodobenzene;1-Iodo-4-cyanobenzene
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

light yellow crystal powder

4-Iodobenzonitrile Basic Attributes

Molecular Weight：

229.02

Exact Mass：

229.02

NSC Number：

87894

DSSTox ID：

DTXSID3062819

HScode：

2926909090

Characteristics

PSA：

23.8

XLogP3：

Appearance：

Light yellow-brown Powder or Chunks

Density：

1.9±0.1 g/cm3

Melting Point：

128-129 °C

Boiling Point：

271.6ºC at 760 mmHg

Flash Point：

118.0±22.6 °C

Refractive Index：

1.661

Water Solubility：

Insoluble in water.

Storage Conditions：

Store in a cool, dry place. Keep container closed when not in use.

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3439

wgk germany：

hazard class code：

36/37/38-20/21/22

safety instructions：

22-24/25-36/37/39-26

Marks：

Xn,Xi

Hazard note：

Irritant

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P310, 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：

H301

GHS Classification：

|Danger|H301 (54.55%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, 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|Aggregated GHS information provided by 11 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Iodobenzonitrile Use and Manufacturing

Uses

suzuki reaction

Manufacturing Info：

Benzonitrile, 4-iodo-: INACTIVE

Computed Properties

Molecular Weight:229.02
XLogP3:3
Hydrogen Bond Acceptor Count:1
Exact Mass:228.93885
Monoisotopic Mass:228.93885
Topological Polar Surface Area:23.8
Heavy Atom Count:9
Complexity:127
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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