2-Chloro-5-methylsulfanylbenzoic acid
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2-Chloro-5-methylsulfanylbenzoic acid
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CAS No:
51546-12-4
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Formula:
C8H7ClO2S
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Chemical Name:
2-Chloro-5-methylsulfanylbenzoic acid
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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%
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CAS No:
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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2-Chloro-5-methylsulfanylbenzoic acid
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