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Home > Encyclopedia > 2-Chloro-5-methylsulfanylbenzoic acid

2-Chloro-5-methylsulfanylbenzoic acid

2-Chloro-5-methylsulfanylbenzoic acid structure

2-Chloro-5-methylsulfanylbenzoic acid 

structure
  • CAS No:

    51546-12-4

  • Formula:

    C8H7ClO2S

  • Chemical Name:

    2-Chloro-5-methylsulfanylbenzoic acid

  • Synonyms:

    LABOTEST-BB LT00452880;2-CHLORO-5-(METHYLTHIO)BENZOIC ACID;2-CHLORO-5-(METHYLTHIO)BENZOIC ACID, TEC H., 96%;Benzoic acid, 2-chloro-5-(methylthio)-;2-CHLORO-5-METHYLSULFANYLBENZOIC ACID;2-CHLORO-5-(METHYLTHIO)BENZOIC ACID TECH 98.0%;3-Carboxy-4-chlorothioanisole, 2-Chloro-5-(methylsulphanyl)benzoic acid;2-Chloro-5-(Methylthio)benzoic acid technical grade, 96%

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

2-Chloro-5-methylsulfanylbenzoic acid Basic Attributes

202.66

201.985519

DTXSID80346019

2930909090

Characteristics

62.6

2.7

1.4±0.1 g/cm3

136-137 °C(lit.)

342.4°C at 760 mmHg

160.9±25.1 °C

1.627

-20°C

Safety Information

NONH for all modes of transport

3

36/37/38

26-37/39-36

Xi

P261-P305 + P351 + P338

H315-H319-H335

|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 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Chloro-5-methylsulfanylbenzoic acid Use and Manufacturing

Intermediate 42Methyl 2-cyano-5-(methylthio)benzoate Methyl 2-chloro-5-(methylthio)benzoate (Int. 41) (23.2 g, 106.9 mmol) and copper(l) cyanide (19.2 g, 213.8 mmol) were dissolved in 100 mL N-methylpyrrolidinone. The resulting mixture was heated at 16OTriethylamine (11 mL, 79 mmol) was added to a stirred solution of

Computed Properties

Molecular Weight:202.66
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:201.9855283
Monoisotopic Mass:201.9855283
Topological Polar Surface Area:62.6
Heavy Atom Count:12
Complexity:174
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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