Cyclohexyl isothiocyanate
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Cyclohexyl isothiocyanate
structure -
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CAS No:
1122-82-3
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Formula:
C7H11NS
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Chemical Name:
Cyclohexyl isothiocyanate
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Synonyms:
Cyclohexane,isothiocyanato-;Isothiocyanic acid,cyclohexyl ester;Isothiocyanatocyclohexane;Cyclohexyl isothiocyanate;NSC 60129
- Categories:
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CAS No:
Cyclohexyl isothiocyanate Basic Attributes
141.23
141.23
774525
214-361-9
60129
DTXSID5061532
29309090
Characteristics
44.4
2.42190
clear, colorless
1.0339 g/cm3 @ Temp: 20 °C
85 °C
220 °C
95 °C
1.536-1.538
0.18mmHg at 25°C
Safety Information
III
8
2922
34-20/21/22-42
45-36/37/39-26-39-23
NX8480000
C
P261-P280-P305 + P351 + P338-P310
H314-H317-H334
|Danger|H302 (13.04%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P272, P280, P285, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P304+P341, P305+P351+P338, P310, P312, P321, P322, P330, P333+P313, P342+P311, P363, P405, and P501|Aggregated GHS information provided by 46 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:141.24
XLogP3:3.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:141.06122053
Monoisotopic Mass:141.06122053
Topological Polar Surface Area:44.4
Heavy Atom Count:9
Complexity:121
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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