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1-Isothiocyanato-2-(trifluoromethoxy)benzene

1-Isothiocyanato-2-(trifluoromethoxy)benzene structure

CAS No:
175205-33-1
Formula:
C8H4F3NOS
Chemical Name:
1-Isothiocyanato-2-(trifluoromethoxy)benzene
Synonyms:
Benzene,1-isothiocyanato-2-(trifluoromethoxy)-;1-Isothiocyanato-2-(trifluoromethoxy)benzene;1-Isothiocyanato-2-trifluoromethoxybenzene;1-Isothiocyanato-2-[(trifluoromethyl)oxy]benzene;2-(Trifluoromethoxy)phenyl isothiocyanate;2-Isothiocyanatophenyl trifluoromethyl ether
Categories:
Chemical Reagents > Organic Reagents

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1-Isothiocyanato-2-(trifluoromethoxy)benzene Basic Attributes

Molecular Weight：

219.18

Exact Mass：

219.18

DSSTox ID：

DTXSID50380480

HScode：

2930909090

Characteristics

PSA：

53.7

XLogP3：

3.31950

Density：

1.354 g/mL at 25 °C(lit.)

Boiling Point：

215 °C(lit.)

Flash Point：

102 °C

Refractive Index：

n 20/D 1.543(lit.)

Safety Information

Hazard category：

IRRITANT

Transport codes：

UN 1760 8/PG 2

wgk germany：

hazard class code：

safety instructions：

26-27-36/37/39-45

Marks：

C,Xi

Hazard note：

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 (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 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:219.19
XLogP3:4.5
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:237
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-Isothiocyanato-2-(trifluoromethoxy)benzene

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

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