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4-Isothiocyanato-1-methyl-2-(trifluoromethyl)benzene

4-Isothiocyanato-1-methyl-2-(trifluoromethyl)benzene structure

CAS No:
351003-67-3
Formula:
C9H6F3NS
Chemical Name:
4-Isothiocyanato-1-methyl-2-(trifluoromethyl)benzene
Synonyms:
Benzene,4-isothiocyanato-1-methyl-2-(trifluoromethyl)-;4-Isothiocyanato-1-methyl-2-(trifluoromethyl)benzene;[3-(Trifluoromethyl)-4-methylphenyl]isothiocyanate
Categories:
Chemical Reagents > Organic Reagents

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4-Isothiocyanato-1-methyl-2-(trifluoromethyl)benzene Basic Attributes

Molecular Weight：

217.2108496

Exact Mass：

217.21

DSSTox ID：

DTXSID70399054

HScode：

2930909090

Characteristics

PSA：

44.4

XLogP3：

3.74810

Density：

1.291 g/mL at 25ºC(lit.)

Boiling Point：

208 °C(lit.)

Flash Point：

135 °F

Refractive Index：

n20/D 1.5635(lit.)

Safety Information

Transport codes：

UN 1993 3/PG 3

wgk germany：

hazard class code：

20/21/22-36/37/38-42

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261-P280-P305 + P351 + P338-P342 + P311

Hazard Statements：

H226-H302-H312-H315-H319-H332-H334-H335

GHS Classification：

|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P285, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P304+P341, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P342+P311, P362, P363, P370+P378, P403+P233, P403+P235, 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:217.21
XLogP3:4.6
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:217.01730486
Monoisotopic Mass:217.01730486
Topological Polar Surface Area:44.4
Heavy Atom Count:14
Complexity:245
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Isothiocyanato-1-methyl-2-(trifluoromethyl)benzene

Basic Attributes
Characteristics
Safety Information
Computed Properties
Latest News
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4-Isothiocyanato-1-methyl-2-(trifluoromethyl)benzene

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