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4-Bromo-2-fluorobenzoic acid

4-Bromo-2-fluorobenzoic acid structure

4-Bromo-2-fluorobenzoic acid 

structure
  • CAS No:

    112704-79-7

  • Formula:

    C7H4BrFO2

  • Chemical Name:

    4-Bromo-2-fluorobenzoic acid

  • Synonyms:

    Benzoic acid,4-bromo-2-fluoro-;4-Bromo-2-fluorobenzoic acid;2-Fluoro-4-bromobenzoic acid;NSC 190364

  • Categories:

    Organic Chemistry  >  Organic Fluorine Compound

Description

white to light yellow crystal powder

4-Bromo-2-fluorobenzoic acid Basic Attributes

219.01

219.01

6323931

-0

190364

DTXSID60307209

29163990

Characteristics

37.3

3.1

white to light yellow crystal powder

1.7218 (rough estimate)

204-208 °C (polymorph) @ Solvent: Acetone, Hexane

289.4±25.0 °C(Predicted)

128.8±23.2 °C

1.4240 (estimate)

Solubility in methanol, very faint turbidity.

0.0302mmHg at 25°C

Safety Information

IRRITANT

NONH for all modes of transport

3

36/37/38

37/39-26

Xi

Irritant

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

H315

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 10 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Bromo-2-fluorobenzoic acid Use and Manufacturing

Uses

4-Bromo-2-fluorobenzoic Acid is a halogenated derivative of benzoic acid. 4-Bromo-2-fluorobenzoic Acid is used in the synthesis of pharmaceutically significant products such as d-Amino acid oxidase inhibitors.

Benzoic acid, 4-bromo-2-fluoro-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Computed Properties

Molecular Weight:219.01
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:217.93787
Monoisotopic Mass:217.93787
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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