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4-Iodo-3-(trifluoromethyl)benzonitrile

4-Iodo-3-(trifluoromethyl)benzonitrile structure

CAS No:
161320-00-9
Formula:
C8H3F3IN
Chemical Name:
4-Iodo-3-(trifluoromethyl)benzonitrile
Synonyms:
4-Iodo-3-(trifluoromethyl)benzonitrile;4-Cyano-2-(trifluoromethyl)iodobenzene;REF DUPL: 2-iodo-5-cyanobenzotrifluoride;5-Cyano-2-iodobenzotrifluoride, 4-Iodo-alpha,alpha,alpha-trifluoro-m-tolunitrile;4-Iodo-3-(trifluoroMethyl)benzonitrile;4-Iodo-3-(trifluoromethyl)benzonitrile 96%;4-Iodo-3-(trifluoromethyl)
Categories:
Organic Chemistry > Organic Fluorine Compound

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4-Iodo-3-(trifluoromethyl)benzonitrile Basic Attributes

Molecular Weight：

297.0157996

Exact Mass：

296.92600

DSSTox ID：

DTXSID60627055

HScode：

2926909090

Characteristics

PSA：

23.8

XLogP3：

3.18168

Density：

1.95g/cm3

Melting Point：

92-99 °C

Boiling Point：

271℃

Flash Point：

118℃

Refractive Index：

1.561

Vapor Pressure：

0.00667mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

hazard class code：

Marks：

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H302-H319

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:297.02
XLogP3:3.2
Hydrogen Bond Acceptor Count:4
Exact Mass:296.92623
Monoisotopic Mass:296.92623
Topological Polar Surface Area:23.8
Heavy Atom Count:13
Complexity:229
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Iodo-3-(trifluoromethyl)benzonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties
Latest News
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4-Iodo-3-(trifluoromethyl)benzonitrile

SDS

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