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2-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE

2-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE structure

CAS No:
1743-86-8
Formula:
C8H4F3NS
Chemical Name:
2-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE
Synonyms:
1-ISOTHIOCYANATO-2-TRIFLUOROMETHYL-BENZENE;2-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE;O-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE;à,à,à-trifluoro-o-tolyl isothiocyanate;alpha,alpha,alpha-trifluoro-o-tolyl isothiocyanate;isothiocyanic acid 2-(trifluoromethyl)phenyl ester;Isothiocyanic Acid 2-(Trifluoromethyl)phenyl Esteralpha,alpha,alpha-Trifluoro-o-tolyl Isothiocyanate;1-Trifluoromethyl-2-isothiocyanatobenzene
Categories:
Chemical Reagents > Organic Reagents

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2-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE Basic Attributes

Molecular Weight：

203.18

Exact Mass：

203.001648

BRN：

2693552

EC Number：

-0

DSSTox ID：

DTXSID50353179

HScode：

29309090

Characteristics

PSA：

44.4

XLogP3：

4.21

Density：

1.346 g/mL at 25 °C(lit.)

Boiling Point：

220 °C(lit.)

Flash Point：

221 °F

Refractive Index：

n 20/D 1.566(lit.)

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

2810

wgk germany：

hazard class code：

safety instructions：

26-27-36/37/39-45

Marks：

C,Xi,T

Hazard note：

Harmful/Irritant

Precautionary statement(s)：

P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, P501

Hazard Statements：

H314

GHS Classification：

|Danger|H314 (97.78%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:203.19
XLogP3:4.2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:203.00165479
Monoisotopic Mass:203.00165479
Topological Polar Surface Area:44.4
Heavy Atom Count:13
Complexity:220
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE

Basic Attributes
Characteristics
Safety Information
Computed Properties
Latest News
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2-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE

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