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Home > Encyclopedia > 5-CHLORO-3-CYANOBENZOTRIFLUORIDE

5-CHLORO-3-CYANOBENZOTRIFLUORIDE

5-CHLORO-3-CYANOBENZOTRIFLUORIDE structure

5-CHLORO-3-CYANOBENZOTRIFLUORIDE 

structure
  • CAS No:

    693245-52-2

  • Formula:

    C8H3ClF3N

  • Chemical Name:

    5-CHLORO-3-CYANOBENZOTRIFLUORIDE

  • Synonyms:

    3-Chloro-5-cyanobenzotrifluoride;3-Chloro-5-cyanobenzotrifluoride, 5-Chloro-alpha,alpha,alpha-trifluoro-m-tolunitrile;5-Chloro-3-cyanobenzotrifluoride[3-chloro-5-(trifluoroMethyl)benzonitrile]

Description

Colorless to pale yellow liquid

5-CHLORO-3-CYANOBENZOTRIFLUORIDE Basic Attributes

205.57

204.990616

DTXSID40404548

2926909090

Characteristics

23.8

3.2

1.4±0.1 g/cm3

198℃

73℃

1.485

Safety Information

III

6.1

UN 3276 6.1/PG III

|Danger|H301+H311+H331 (16.67%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:205.56
XLogP3:3.2
Hydrogen Bond Acceptor Count:4
Exact Mass:204.9906113
Monoisotopic Mass:204.9906113
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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