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Home > Encyclopedia > 3-Trifluoromethyl-4-bromobenzonitrile

3-Trifluoromethyl-4-bromobenzonitrile

3-Trifluoromethyl-4-bromobenzonitrile structure

3-Trifluoromethyl-4-bromobenzonitrile 

structure
  • CAS No:

    1735-53-1

  • Formula:

    C8H3BrF3N

  • Chemical Name:

    3-Trifluoromethyl-4-bromobenzonitrile

  • Synonyms:

    3-TRIFLUOROMETHYL-4-BROMO BENZONITRILE;4-BROMO-3-(TRIFLUOROMETHYL)BENZONITRILE;4-Chloro-3,5-dibromo-(difluoromethoxy)benzene;Benzonitrile, 4-bromo-3-(trifluoromethyl)-;4-Bromo-3-(trifluoromethyl)benzonitrile 97%;2-Bromo-5-cyanobenzotrifluoride;2-Bromo-5-cyanobenzotrifluoride, 4-Bromo-alpha,alpha,alpha-trifluoro-m-tolunitrile

  • Categories:

    Organic Chemistry  >  Organic Fluorine Compound

Description

light yellow solid

3-Trifluoromethyl-4-bromobenzonitrile Basic Attributes

250.02

248.940094

DTXSID70445121

2926909090

Characteristics

23.8

3.2

Light yellow solid

1.71±0.1 g/cm3(Predicted)

80.0 to 84.0 °C

235.6±35.0 °C(Predicted)

96.3±25.9 °C

1.517

0.05mmHg at 25°C

Safety Information

III

6.1

UN 3439 6.1/PG III

22

Xn

Harmful

P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501

H301+H311+H331

|Danger|H301+H311+H331 (100%): 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, P302+P352, 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 157 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:250.01
XLogP3:3.2
Hydrogen Bond Acceptor Count:4
Exact Mass:248.94010
Monoisotopic Mass:248.94010
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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