4-CHLOROBENZOYL ISOTHIOCYANATE
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4-CHLOROBENZOYL ISOTHIOCYANATE
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CAS No:
16794-67-5
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Formula:
C8H4ClNOS
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Chemical Name:
4-CHLOROBENZOYL ISOTHIOCYANATE
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Synonyms:
4-CHLOROBENZOYL ISOTHIOCYANATE;P-CHLOROBENZOYL ISOTHIOCYANATE;CHLOROBENZOYL ISOTHIOCYANATE
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CAS No:
Characteristics
61.5
2.58300
1.29±0.1 g/cm3(Predicted)
45 °C
102-103 °C(Press: 0.2 Torr)
135.2ºC
1.606
Safety Information
IRRITANT, CORROSIVE
2927
20/21/22-34
26-36/37/39
Xi,C
P261, P264, P270, P271, P272, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, P501
H301
|Danger|H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:197.64
XLogP3:3.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:196.9702126
Monoisotopic Mass:196.9702126
Topological Polar Surface Area:61.5
Heavy Atom Count:12
Complexity:217
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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