3-CHLORO-4-METHYL-2-THIOPHENECARBOXYLIC ACID
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3-CHLORO-4-METHYL-2-THIOPHENECARBOXYLIC ACID
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CAS No:
229342-86-3
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Formula:
C6H5ClO2S
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Chemical Name:
3-CHLORO-4-METHYL-2-THIOPHENECARBOXYLIC ACID
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Synonyms:
BUTTPARK 86\18-06;3-CHLORO-4-METHYL-2-THIOPHENECARBOXYLIC ACID;3-chloro-4-methylthiophene-2-carboxylic acid
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CAS No:
3-CHLORO-4-METHYL-2-THIOPHENECARBOXYLIC ACID Basic Attributes
176.62
175.97000
DTXSID50404938
2934999090
Characteristics
65.5
2.40810
1.475g/cm3
223-224°C
298.7ºC at 760 mmHg
134.4ºC
1.606
0.000558mmHg at 25°C
Safety Information
R34
S26-S36/37/39-S45
C:Corrosive
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302
|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:176.62
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:175.9698783
Monoisotopic Mass:175.9698783
Topological Polar Surface Area:65.5
Heavy Atom Count:10
Complexity:151
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-CHLORO-4-METHYL-2-THIOPHENECARBOXYLIC ACID
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