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4-(TRIFLUOROMETHOXY)PHENYL ISOTHIOCYANATE

4-(TRIFLUOROMETHOXY)PHENYL ISOTHIOCYANATE structure

CAS No:
64285-95-6
Formula:
C8H4F3NOS
Chemical Name:
4-(TRIFLUOROMETHOXY)PHENYL ISOTHIOCYANATE
Synonyms:
Benzene,1-isothiocyanato-4-(trifluoromethoxy)-;4-(TRIFLUOROMETHOXY)PHENYL ISOTHIOCYANATE;4-(Trifluoromethoxy)phenyl isothiocyanate 97%;4-(Trifluoromethoxy)phenylisothiocyanate97%;1-Isothiocyanato-4-(trifluoromethoxy)benzene, 4-Isothiocyanatophenyl trifluoromethyl ether
Categories:
Chemical Reagents > Organic Reagents

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4-(TRIFLUOROMETHOXY)PHENYL ISOTHIOCYANATE Basic Attributes

Molecular Weight：

219.18

Exact Mass：

218.99700

DSSTox ID：

DTXSID70380482

HScode：

2930909090

Characteristics

PSA：

53.7

XLogP3：

3.31950

Appearance：

Colorless Liquid

Density：

1.35 g/mL at 25 °C(lit.)

Boiling Point：

215-218 °C(lit.)

Flash Point：

225 °F

Refractive Index：

n20/D 1.541(lit.)

Storage Conditions：

2-8°C

Safety Information

Hazard category：

Transport codes：

UN 1760 8/PG 2

wgk germany：

hazard class code：

safety instructions：

26-27-36/37/39-45-60-23-20

Marks：

C,Xi

Hazard note：

Irritant

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H314

GHS Classification：

|Danger|H314 (100%): 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 43 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:219.19
XLogP3:4.8
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:218.99656941
Monoisotopic Mass:218.99656941
Topological Polar Surface Area:53.7
Heavy Atom Count:14
Complexity:229
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4-(Trifluoromethoxy)phenyl isothiocyanate

CAS No.: 64285-95-6

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Guide of 4-(TRIFLUOROMETHOXY)PHENYL ISOTHIOCYANATE

Basic Attributes
Characteristics
Safety Information
Computed Properties
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4-(TRIFLUOROMETHOXY)PHENYL ISOTHIOCYANATE

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