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Home > Encyclopedia > 4,5-Difluoro-2-methylbenzoic acid

4,5-Difluoro-2-methylbenzoic acid

4,5-Difluoro-2-methylbenzoic acid structure

4,5-Difluoro-2-methylbenzoic acid 

structure
  • CAS No:

    183237-86-7

  • Formula:

    C8H6F2O2

  • Chemical Name:

    4,5-Difluoro-2-methylbenzoic acid

  • Synonyms:

    Benzoic acid,4,5-difluoro-2-methyl-;4,5-Difluoro-2-methylbenzoic acid;3,4-Difluoro-6-methylbenzoic acid

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

4,5-Difluoro-2-methylbenzoic acid Basic Attributes

172.13

172.13

DTXSID50590865

Characteristics

1.359

119-121°C

269℃

3.47±0.25

Safety Information

22

Xi,Xn

|Warning|H302 (14.29%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 7 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:172.13
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:172.03358575
Monoisotopic Mass:172.03358575
Topological Polar Surface Area:37.3
Heavy Atom Count:12
Complexity:184
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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