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2,5-DIMETHYLPHENYL ISOTHIOCYANATE

2,5-DIMETHYLPHENYL ISOTHIOCYANATE structure

CAS No:
19241-15-7
Formula:
C9H9NS
Chemical Name:
2,5-DIMETHYLPHENYL ISOTHIOCYANATE
Synonyms:
2-Isothiocyanato-1,4-dimethylbenzene;AKOS B016335;2,5-DIMETHYLPHENYL ISOTHIOCYANATE;ART-CHEM-BB B016335;2,5-Dimethylisothiocyanatobenzene

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2,5-DIMETHYLPHENYL ISOTHIOCYANATE Basic Attributes

Molecular Weight：

163.24

Exact Mass：

163.04600

DSSTox ID：

DTXSID30172825

Characteristics

PSA：

44.4

XLogP3：

3.03770

Density：

1.08

Boiling Point：

120 °C

Flash Point：

121.2ºC

Refractive Index：

1.554

Vapor Pressure：

0.00953mmHg at 25°C

Safety Information

Hazard category：

IRRITANT, CORROSIVE

Marks：

Xi,C

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：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P285, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P304+P341, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:163.24
XLogP3:4.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:163.04557046
Monoisotopic Mass:163.04557046
Topological Polar Surface Area:44.4
Heavy Atom Count:11
Complexity:172
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,5-DIMETHYLPHENYL ISOTHIOCYANATE

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

2,5-DIMETHYLPHENYL ISOTHIOCYANATE

SDS

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