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3,5-DIFLUOROPHENYLISOCYANATE

3,5-DIFLUOROPHENYLISOCYANATE structure

CAS No:
83594-83-6
Formula:
C7H3F2NO
Chemical Name:
3,5-DIFLUOROPHENYLISOCYANATE
Synonyms:
1,3-difluoro-5-isocyanatobenzene(SALTDATA: FREE);1-Isocyanato-3,5-difluorobenzene;3,5-Difluoro-1-isocyanatobenzene;Benzene,1,3-difluoro-5-isocyanato-;3,5-Difluorophenyl isocyanate 97%;516562_ALDRICH;ZINC02389320;3,5-DIFLUOROPHENYLISOCYANATE

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3,5-DIFLUOROPHENYLISOCYANATE Basic Attributes

Molecular Weight：

155.1

Exact Mass：

155.01827004

DSSTox ID：

DTXSID40381365

HScode：

2929109000

Characteristics

PSA：

29.43000

XLogP3：

1.93210

Density：

1.31 g/mL at 25 °C(lit.)

Boiling Point：

159 °C(lit.)

Flash Point：

130ºF

Refractive Index：

n20/D 1.493(lit.)

Safety Information

Hazard category：

IRRITANT

Transport codes：

UN 1993 3/PG 2

wgk germany：

hazard class code：

10-20/21/22-36/37/38

safety instructions：

16-26-36/37/39

Marks：

Xn,T,Xi

Precautionary statement(s)：

P261; P280; P305 + P351 + P338; P342 + P311

Hazard Statements：

H226; H302; H312; H315; H319; H332; H334; H335

GHS Classification：

|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P285, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P304+P341, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P342+P311, P362, P363, P370+P378, P403+P233, P403+P235, 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:155.10
XLogP3:2.9
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:155.01827004
Monoisotopic Mass:155.01827004
Topological Polar Surface Area:29.4
Heavy Atom Count:11
Complexity:169
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,5-DIFLUOROPHENYLISOCYANATE

Basic Attributes
Characteristics
Safety Information
Computed Properties

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