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2-Isopropoxy-6-(2,2,2-trifluoroethoxy)-benzonitrile

2-Isopropoxy-6-(2,2,2-trifluoroethoxy)-benzonitrile structure

CAS No:
175204-05-4
Formula:
C12H12F3NO2
Chemical Name:
2-Isopropoxy-6-(2,2,2-trifluoroethoxy)-benzonitrile
Synonyms:
2-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)benzonitrile;

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2-Isopropoxy-6-(2,2,2-trifluoroethoxy)-benzonitrile Basic Attributes

Molecular Weight：

259.22400

Exact Mass：

259.08201311

DSSTox ID：

DTXSID90379454

HScode：

2926909090

Characteristics

PSA：

42.25000

XLogP3：

3.28658

Density：

1.23g/cm3

Melting Point：

88-90ºC

Boiling Point：

329ºC at 760 mmHg

Flash Point：

152.8ºC

Refractive Index：

1.465

Vapor Pressure：

0.000182mmHg at 25°C

Safety Information

Transport codes：

UN 3439

hazard class code：

R20/21/22

safety instructions：

S22; S36/37/39

Marks：

Computed Properties

Molecular Weight:259.22
XLogP3:3.5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:259.08201311
Monoisotopic Mass:259.08201311
Topological Polar Surface Area:42.2
Heavy Atom Count:18
Complexity:308
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: carbon disulfide; 1-hexanol; sds for hydrochloric acid; fluorosilicic acid; magnesium nitride formula; epistane

Guide of 2-Isopropoxy-6-(2,2,2-trifluoroethoxy)-benzonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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