4-Bromobenzoic acid | CAS No. 586-76-5

4-Bromobenzoic acid

Basic Information

CAS Number

586-76-5

Molecular Formula

C7H5BrO2

Molecular Weight

201.02 g/mol

AD

Basic Physical Properties

Melting Point

252-254 °C

Boiling Point

299.8℃ at 760 mmHg

Flash Point

135.1℃

Solubility

ethanol: soluble5%

Refractive Index

1.6080 (estimate)

C1=CC(=CC=C1C(=O)O)Br

InChI

InChI=1S/C7H5BrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)

InChIKey

TUXYZHVUPGXXQG-UHFFFAOYSA-N

LogP

2.1473000000000004

pKa

3.96(at 25℃)

Topological Polar Surface Area

37.3 Ų

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

128

Safety Information

View Safety Information

GHS Hazard Pictograms

H302H302
H315H315
H319H319
H335H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • NSC 17582
  • Q18472729
  • NSC-143357
  • 4-Bromobenzoic acid, 98%
  • CS-W020100
  • BP-31040
  • p-Bromobenzenecarboxylic acid
  • BROMOBENZOIC ACID, P-
  • 4-BrombenZoic acid
  • MFCD00002529
  • BRN 1906923
  • 4-Bromophenylcarboxylic acid
  • PS-5301
  • W-105369
  • Benzoic acid, 4-bromo-
  • EN300-18038
  • 4-bromobenzenecarboxylic acid
  • 4- bromobenzoic acid
  • 4-Bromo-benzoic acid
  • 4-Bromobenzoic acid, Vetec(TM) reagent grade, 98%
  • CHEMBL22051
  • 4-carboxybromobenzene
  • B-5782
  • F2191-0080
  • UNII-6992P6102O
  • 4-Bromo benzoic acid
  • NSC-176126
  • InChI=1/C7H5BrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10
  • MFCD06658868
  • AKOS000118916
  • 4-Bromobenzoic acid

MDL Number

MFCD00002529

Customs Code

29163900

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