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Phenyl cyanate

Phenyl cyanate structure

CAS No:
1122-85-6
Formula:
C7H5NO
Chemical Name:
Phenyl cyanate
Synonyms:
Cyanic acid,phenyl ester;Phenyl cyanate;1-Cyanatobenzene
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Phenyl cyanate is a cyanate ester.

Phenyl cyanate Basic Attributes

Molecular Weight：

119.12

Exact Mass：

119.12

EC Number：

214-364-5

DSSTox ID：

DTXSID10149954

HScode：

2929909090

Characteristics

PSA：

33.02000

XLogP3：

1.54648

Density：

~1.27 g/mL at 20 °C

Melting Point：

51 °C

Boiling Point：

74-75 °C @ Press: 10 Torr

Flash Point：

62.7ºC

Refractive Index：

1.527

Vapor Pressure：

1.68mmHg at 25°C

Safety Information

Transport codes：

UN 1593 6.1 / PGIII

wgk germany：

hazard class code：

40-42/43

safety instructions：

23-36/37-45

Marks：

GHS Classification：

|Danger|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P285, P302+P352, P304+P341, P321, P333+P313, P342+P311, P363, 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:119.12
XLogP3:2.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:119.037113783
Monoisotopic Mass:119.037113783
Topological Polar Surface Area:33
Heavy Atom Count:9
Complexity:118
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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phenyl cyanate

CAS No.: 1122-85-6

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1122-85-6 phenyl cyanate

CAS No.: 1122-85-6

Grade: Industrial Grade

Content: 95%

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