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1-ISOTHIOCYANATO-4-(TRANS-4-OCTYLCYCLO-HEXYL)BENZENE,99

1-ISOTHIOCYANATO-4-(TRANS-4-OCTYLCYCLO-HEXYL)BENZENE,99 structure

CAS No:
92412-69-6
Formula:
C21H31NS
Chemical Name:
1-ISOTHIOCYANATO-4-(TRANS-4-OCTYLCYCLO-HEXYL)BENZENE,99
Synonyms:
1-ISOTHIOCYANATO-4-(TRANS-4-OCTYLCYCLOHEXYL)BENZENE;1-isothiocyanato-4-(4-octylcyclohexyl)benzene;SCHEMBL3799918;SCHEMBL3799919;CTK5H1239;DTXSID80399025;AKOS015889310;4-(4-Octylcyclohexyl)phenyl isothiocyanate;1-(trans-4-octylcyclohexyl)-4-isothiocyanatobenzene;4-(4alpha-Octylcyclohexane-1beta-yl)phenyl isothiocyanate

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1-ISOTHIOCYANATO-4-(TRANS-4-OCTYLCYCLO-HEXYL)BENZENE,99 Basic Attributes

Molecular Weight：

329.54300

Exact Mass：

329.21800

DSSTox ID：

DTXSID80399025

HScode：

2930909090

Characteristics

PSA：

44.45000

XLogP3：

7.44530

Refractive Index：

1.553

Safety Information

hazard class code：

R20/21/22;R36/37/38

safety instructions：

S26-S37-S39

Marks：

Precautionary statement(s)：

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

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): 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 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:329.5
XLogP3:9.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:9
Exact Mass:329.21772117
Monoisotopic Mass:329.21772117
Topological Polar Surface Area:44.4
Heavy Atom Count:23
Complexity:345
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-ISOTHIOCYANATO-4-(TRANS-4-OCTYLCYCLO-HEXYL)BENZENE,99

Basic Attributes
Characteristics
Safety Information
Computed Properties

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