3,4-Dichlorobenzenemethanethiol
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3,4-Dichlorobenzenemethanethiol
structure -
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CAS No:
36480-40-7
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Formula:
C7H6Cl2S
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Chemical Name:
3,4-Dichlorobenzenemethanethiol
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Synonyms:
Benzenemethanethiol,3,4-dichloro-;α-Toluenethiol,3,4-dichloro-;3,4-Dichlorobenzenemethanethiol;3,4-Dichlorobenzylmercaptan;(3,4-Dichlorophenyl)methanethiol
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CAS No:
3,4-Dichlorobenzenemethanethiol Basic Attributes
193.09
193.09
3237473
253-054-4
DTXSID50189990
2930909090
Characteristics
1
3.42320
1.362
170-171 °C @ Press: 31 Torr
152-153°C/12mm
1.6080
Difficult to mix in water.
Safety Information
III
6.1
2810
20/21/22
23-36/37
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
H302
|Danger|H302 (83.33%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:193.09
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:191.9567268
Monoisotopic Mass:191.9567268
Topological Polar Surface Area:1
Heavy Atom Count:10
Complexity:108
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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