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Home > Encyclopedia > 2-Chloro-4,5-difluorobenzoic acid

2-Chloro-4,5-difluorobenzoic acid

2-Chloro-4,5-difluorobenzoic acid structure

2-Chloro-4,5-difluorobenzoic acid 

structure
  • CAS No:

    110877-64-0

  • Formula:

    C7H3ClF2O2

  • Chemical Name:

    2-Chloro-4,5-difluorobenzoic acid

  • Synonyms:

    Benzoic acid,2-chloro-4,5-difluoro-;2-Chloro-4,5-difluorobenzoic acid

  • Categories:

    Organic Chemistry  >  Organic Fluorine Compound

2-Chloro-4,5-difluorobenzoic acid Basic Attributes

192.55

192.55

4247522

405-380-5

DTXSID60353180

29163990

Characteristics

37.3

2.4

White Fine Crystalline Powder

1.6±0.1 g/cm3

86-88 °C

258 °C

257-259°C

1.535

H2O: 5.0 g/L (20 ºC)

0.00273mmHg at 25°C

Safety Information

IRRITANT

NONH for all modes of transport

3

36/37/38-41-43-21/22-20/21/22

26-39-36/37/39-36

Xi,Xn

Irritant

P261-P280-P305 + P351 + P338

H315-H318-H335

|Danger|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P310, P312, P321, P322, P330, P333+P313, P363, and P501|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P333+P313, P362, P363, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H302 (11.11%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:192.55
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:191.9789634
Monoisotopic Mass:191.9789634
Topological Polar Surface Area:37.3
Heavy Atom Count:12
Complexity:188
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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