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4-ACETYLPHENYL ISOCYANATE

4-ACETYLPHENYL ISOCYANATE structure

CAS No:
49647-20-3
Formula:
C9H7NO2
Chemical Name:
4-ACETYLPHENYL ISOCYANATE
Synonyms:
1-(4-Isocyanatophenyl)ethanone;4-ACETYLPHENYL ISOCYANATE;1-ACETYL-4-ISOCYANATOBENZENE;P-ACETYLPHENYL ISOCYANATE;Ethanone, 1-(4-isocyanatophenyl)- (9CI);4-Acetylphenyl isocyanate 97%;439932_ALDRICH;Ethanone, 1-(4-isocyanatophenyl)-
Categories:
Organic Chemistry > Coordination Complexes

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4-ACETYLPHENYL ISOCYANATE Basic Attributes

Molecular Weight：

161.16

Exact Mass：

161.04800

BRN：

2803022

NSC Number：

223088

DSSTox ID：

DTXSID00197949

HScode：

2929109000

Characteristics

PSA：

46.5

XLogP3：

2.4

Density：

1.09g/cm3

Melting Point：

35-37 °C(lit.)

Boiling Point：

139 °C14 mm Hg(lit.)

Flash Point：

>230 °F

Refractive Index：

1.537

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

2206

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

7-26-27-37/39

Marks：

Xn,Xi

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H312-H315-H319-H332-H335

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P285, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:161.16
XLogP3:2.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:161.047678466
Monoisotopic Mass:161.047678466
Topological Polar Surface Area:46.5
Heavy Atom Count:12
Complexity:211
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-ACETYLPHENYL ISOCYANATE

Basic Attributes
Characteristics
Safety Information
Computed Properties
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