CAS 118-91-2 2-Chlorobenzoic Acid Zone Refined (number of passes:20)

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2-Chlorobenzoic Acid Zone Refined (number of passes:20)

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Catalog Number

ACM118912

Product Name

2-Chlorobenzoic Acid Zone Refined (number of passes:20)

Structure

CAS

118-91-2

Category

Other Material Building Blocks

Description

Crystals or fine fluffy white powder. (NTP, 1992)

IUPAC Name

2-chlorobenzoic acid

Molecular Weight

156.56g/mol

Molecular Formula

C7H5ClO2

Canonical SMILES

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

InChI

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

InChI Key

IKCLCGXPQILATA-UHFFFAOYSA-N

Boiling Point

Sublimes (NTP, 1992);287.0 °C

Melting Point

288 °F (NTP, 1992);140.2 °C;142 °C

Density

1.544 at 68 °F (NTP, 1992);1.544 AT 20 °C/4 °C

Solubility

less than 1 mg/mL at 68° F (NTP, 1992);0.01 M;SOL IN 900 PARTS COLD WATER; MORE SOL IN HOT WATER; FREELY SOL IN ALCOHOL, ETHER.;SOL IN ACETONE, BENZENE;SOLUBLE IN METHANOL;2087 mg/l at 25 °C in water

Color/Form

MONOCLINIC PRISMS FROM WATER

Complexity

136

Covalently-Bonded Unit Count

EC Number

204-285-4;247-558-3

Exact Mass

155.997807g/mol

Formal Charge

Heavy Atom Count

Log P

2.05 (LogP);log Kow= 2.05

MeSH Entry Terms

2-chlorobenzoate;2-chlorobenzoic acid;2-chlorobenzoic acid, copper (2+) salt;2-chlorobenzoic acid, nickel (2+) salt;2-chlorobenzoic acid, potassium salt

Monoisotopic Mass

155.997807g/mol

NSC Number

32737;15042

Rotatable Bond Count

UNII

8P0867193V

Vapor Pressure

6.60e-04 mmHg;6.6X10-4 mm Hg at 25 °C (extrapolated)

XLogP3

2.1

MSDS