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Home > Encyclopedia > 4-Chloro-3-fluorobenzoic acid

4-Chloro-3-fluorobenzoic acid

4-Chloro-3-fluorobenzoic acid structure

4-Chloro-3-fluorobenzoic acid 

structure
  • CAS No:

    403-17-8

  • Formula:

    C7H4ClFO2

  • Chemical Name:

    4-Chloro-3-fluorobenzoic acid

  • Synonyms:

    Benzoic acid,4-chloro-3-fluoro-;4-Chloro-3-fluorobenzoic acid;3-Fluoro-4-chlorobenzoic acid

  • Categories:

    Organic Chemistry  >  Organic Fluorine Compound

Description

off-white powder

4-Chloro-3-fluorobenzoic acid Basic Attributes

174.56

174.56

DTXSID00371424

29163990

Characteristics

37.3

2.9

1.5±0.1 g/cm3

190-192°C

290.9±20.0°C at 760 mmHg

129.8±21.8 °C

1.558

Safety Information

IRRITANT

36/37/38

22-24/25-37-26

Xi

Irritant

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 (12.5%): 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 8 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Chloro-3-fluorobenzoic acid Use and Manufacturing

Methods of Manufacturing

Into 9931g of acetic acid, 2.7g of manganese acetate, 105g98percent sulfuric acid to a 20L autoclave, and then put into 99percent 3-fluoro-chlorotoluene 870g (5.96mol), stirred mixture was cooled to 15 , ozone slowly into 215g (total 10H); after completion of the reaction of nitrogen with the ozone photodissociation process; temperature and pressure recovery acetate, layers were separated and the product is recovered 988G, to give 3-fluoro-4-chlorobenzoic acid, 98.2percent pure, a yield of about 94.2 percent.

Benzoic acid, 4-chloro-3-fluoro-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Computed Properties

Molecular Weight:174.55
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:173.9883852
Monoisotopic Mass:173.9883852
Topological Polar Surface Area:37.3
Heavy Atom Count:11
Complexity:163
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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