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1-ISOTHIOCYANATO-4-(TRANS-4-PROPYL-

1-ISOTHIOCYANATO-4-(TRANS-4-PROPYL- structure

CAS No:
92412-67-4
Formula:
C16H21NS
Chemical Name:
1-ISOTHIOCYANATO-4-(TRANS-4-PROPYL-
Synonyms:
RO-CM-4130;1-ISOTHIOCYANATO-4-(TRANS-4-PROPYL-;1-isothiocyanato-4-(trans-4-propyl-cyclohexyl)ben;4-(trans-4'-Propylcyclohexyl)isothiocyanatobenzene;4-(trans-4'-n-Propylcyclohexyl)isothiocyanatobenzene;1-isothiocyanato-4-(4-propylcyclohexyl)-,trans-Benzene;4-(trans-4'-n-Propylcyclohexyl)-1-isothiocyanatobenzene

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1-ISOTHIOCYANATO-4-(TRANS-4-PROPYL- Basic Attributes

Molecular Weight：

259.41000

Exact Mass：

259.13900

DSSTox ID：

DTXSID70344241

HScode：

2930909090

Characteristics

PSA：

44.45000

XLogP3：

5.49480

Density：

1.05g/cm3

Melting Point：

41-44ºC(lit.)

Boiling Point：

376.8ºC at 760 mmHg

Flash Point：

113ºC

Refractive Index：

1.576

Safety Information

hazard class code：

20/21/22-36/37/38

safety instructions：

26-37/39

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:259.4
XLogP3:7.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:259.13947085
Monoisotopic Mass:259.13947085
Topological Polar Surface Area:44.4
Heavy Atom Count:18
Complexity:280
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-ISOTHIOCYANATO-4-(TRANS-4-PROPYL-

Basic Attributes
Characteristics
Safety Information
Computed Properties

1-ISOTHIOCYANATO-4-(TRANS-4-PROPYL-

SDS

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