3-Bromobenzoic acid | CAS No. 585-76-2

3-Bromobenzoic acid

Basic Information

CAS Number

585-76-2

Molecular Formula

C7H5BrO2

Molecular Weight

201.02 g/mol

AD

Basic Physical Properties

Melting Point

155.0 to 159.0 deg-C

Boiling Point

308.2℃ at 760 mmHg

Water Solubility

0.54 g/L (32 ºC)

Flash Point

140.2℃

Solubility

methanol: soluble50mg/mL, clear, colorless

Refractive Index

1.6080 (estimate)

C1=CC(=CC(=C1)Br)C(=O)O

InChI

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

InChIKey

VOIZNVUXCQLQHS-UHFFFAOYSA-N

LogP

2.1473

pKa

3.86(at 25℃)

Topological Polar Surface Area

37.3 Ų

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

136

Safety Information

View Safety Information

GHS Hazard Pictograms

H315H315
H319H319
H335H335

Hazard Statement

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

  • BENZOIC ACID,2-BROMO
  • NCIOpen2_009262
  • MFCD00002487
  • HY-Y0188
  • EN300-19857
  • NSC-3980
  • AI3-08854
  • NCGC00246888-01
  • NSC3980
  • UNII-7DCT3A73LX
  • 3-Bromo-benzoic acid
  • NCGC00246888-02
  • 3-Bromobenzoic acid, 98%
  • FT-0615203
  • DTXSID8060408
  • CS-W019787
  • 3-bromophenyl carboxylic acid
  • EINECS 209-562-3
  • CHEMBL63399
  • Benzoic acid, 3-bromo-
  • m-Bromobenzoic acid
  • META-BROMOBENZOIC ACID
  • NSC-32739
  • 3-Bromobenzoicacid
  • AKOS000119769
  • SCHEMBL5023
  • 3-BROMBENZOIC ACID
  • SY001482
  • B0551
  • FT-0607488
  • InChI=1/C7H5BrO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10

MDL Number

MFCD00002487

Customs Code

2916399090

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