Dibenzo[b,e]thiepin-11(6H)-one
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Dibenzo[b,e]thiepin-11(6H)-one
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CAS No:
1531-77-7
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Formula:
C14H10OS
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Chemical Name:
Dibenzo[b,e]thiepin-11(6H)-one
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Synonyms:
Dibenzo[b,e]thiepin-11(6H)-one;Homothioxanthone;6,11-Dihydro-11-oxodibenzo[b,e]thiepin;6,11-Dihydrodibenzo[b,e]thiepin-11-one;6,11-Dihydrodibenz[b,e]thiepin-11-one
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CAS No:
Characteristics
42.4
3.5
1.1989 (rough estimate)
80-87 °C @ Solvent: Diethyl ether, Ligroine
162-165 °C @ Press: 0.1 Torr
175-180°C/1mm
1.5700 (estimate)
Safety Information
NONH for all modes of transport
3
36/37/38
37/39-26
Xi
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
H302
|Warning|H302 (14.29%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 11 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:226.30
XLogP3:3.5
Hydrogen Bond Acceptor Count:2
Exact Mass:226.04523611
Monoisotopic Mass:226.04523611
Topological Polar Surface Area:42.4
Heavy Atom Count:16
Complexity:276
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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