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2,5-DIFLUOROPHENYL ISOTHIOCYANATE

2,5-DIFLUOROPHENYL ISOTHIOCYANATE structure

CAS No:
206559-57-1
Formula:
C7H3F2NS
Chemical Name:
2,5-DIFLUOROPHENYL ISOTHIOCYANATE
Synonyms:
2,5-DIFLUOROPHENYL ISOTHIOCYANATE;1,4-Difluoro-2-isothiocyanatobenzene;Benzene, 1,4-difluoro-2-isothiocyanato- (9CI);2,5-Difluorophenyl isothiocyanate 98%;2,5-Difluorophenylisothiocyanate98%;Benzene-1,4-difluoro-2-isothiocyanato
Categories:
Chemical Reagents > Organic Reagents

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Description

colorless toyellow liquid

2,5-DIFLUOROPHENYL ISOTHIOCYANATE Basic Attributes

Molecular Weight：

171.17

Exact Mass：

170.99500

BRN：

6919911

EC Number：

-0

DSSTox ID：

DTXSID60344659

HScode：

2930909090

Characteristics

PSA：

44.4

XLogP3：

2.69910

Appearance：

colorless toyellow liquid

Density：

1.338 g/mL at 25 °C(lit.)

Boiling Point：

205 °C(lit.)

Flash Point：

198 °F

Refractive Index：

n20/D 1.602(lit.)

Vapor Pressure：

0.867mmHg at 25°C

Safety Information

Packing level：

Hazard category：

6.1

Transport codes：

2810

wgk germany：

hazard class code：

34-36/37/38-20/21/22

safety instructions：

26-27-36/37/39-45

Marks：

C,T

Hazard note：

Toxic

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H314

GHS Classification：

|Danger|H302 (11.63%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P405, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:171.17
XLogP3:3.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:170.99542660
Monoisotopic Mass:170.99542660
Topological Polar Surface Area:44.4
Heavy Atom Count:11
Complexity:179
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,5-DIFLUOROPHENYL ISOTHIOCYANATE

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Latest News
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2,5-DIFLUOROPHENYL ISOTHIOCYANATE

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