3-Chlorobenzoic acid | CAS No. 535-80-8

3-Chlorobenzoic acid

Basic Information

CAS Number

535-80-8

Molecular Formula

C7H5ClO2

Molecular Weight

156.57 g/mol

AD

Basic Physical Properties

Melting Point

153-157 °C

Boiling Point

281.3℃ at 760 mmHg

Water Solubility

<0.1 g/100 mL at 19.5 ºC

Flash Point

150 ºC

Solubility

0.45g/l

Refractive Index

1.5812 (estimate)

C1=CC(=CC(=C1)Cl)C(=O)O

InChI

InChI=1S/C7H5ClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)

InChIKey

LULAYUGMBFYYEX-UHFFFAOYSA-N

LogP

2.0382

pKa

3.82(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

  • 3-chloro-benzoic acid
  • CCRIS 5992
  • AI3-17210
  • 3-chlorobenzoic acid
  • STR04527
  • Benzoic acid, 3-chloro-
  • CHEMBL20563
  • NSC-8443
  • BDBM50405324
  • PS-3374
  • Z104474062
  • CHLOROBENZOIC ACID, M-
  • InChI=1/C7H5ClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10
  • AKOS000118819
  • 02UOJ7064K
  • 3-Chlorobenzoic acid, Pharmaceutical Secondary Standard; Certified Reference Material
  • Tox21_200325
  • SR-03000001160-1
  • NCGC00091317-01
  • Benzoic acid, m-chloro-
  • AM20050162
  • CAS-535-80-8
  • CS-0015123
  • NS00015699
  • AC7860
  • DTXSID9024770
  • Acido m-clorobenzoico [Italian]
  • NSC 8443
  • meta-chlorobenzoic acid
  • EINECS 208-618-4
  • 3-cholro-benzoate

MDL Number

MFCD00002491

Customs Code

29163900

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