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3-Fluoro-2-methylbenzonitrile

3-Fluoro-2-methylbenzonitrile structure

3-Fluoro-2-methylbenzonitrile 

structure
  • CAS No:

    185147-06-2

  • Formula:

    C8H6FN

  • Chemical Name:

    3-Fluoro-2-methylbenzonitrile

  • Synonyms:

    3-Fluoro-2-methylben;Benzonitrile, 3-fluoro-2-methyl-;2-methyl-fluorobenzonitrile;6-CYANO-2-FLUOROTOLUENE;3-FLUORO-2-METHYLBENZONITRILE;2-CYANO-6-FLUOROTOLUENE;Benzonitrile, 3-fluoro-2-methyl- (9CI)

  • Categories:

    Organic Chemistry  >  Organic Fluorine Compound

Description

Off-white crystalline

3-Fluoro-2-methylbenzonitrile Basic Attributes

135.14

135.048431

DTXSID40381340

2926909090

Characteristics

23.8

2.1

1.11±0.1 g/cm3(Predicted)

203.0±20.0 °C(Predicted)

82.3±12.1 °C

1.509

0.284mmHg at 25°C

Safety Information

III

6.1

3439

20/21/22

26-36/37/39

Xi

Toxic

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

H302

|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|Aggregated GHS information provided by 6 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:135.14
XLogP3:2.1
Hydrogen Bond Acceptor Count:2
Exact Mass:135.048427358
Monoisotopic Mass:135.048427358
Topological Polar Surface Area:23.8
Heavy Atom Count:10
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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