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Home > Encyclopedia > 3-ACETYLPHENYL ISOCYANATE

3-ACETYLPHENYL ISOCYANATE

3-ACETYLPHENYL ISOCYANATE structure

3-ACETYLPHENYL ISOCYANATE 

structure
  • CAS No:

    23138-64-9

  • Formula:

    C9H7NO2

  • Chemical Name:

    3-ACETYLPHENYL ISOCYANATE

  • Synonyms:

    3-ACETYLPHENYL ISOCYANATE;3-ISOCYANATO ACETOPHENONE;1-(3-Isocyanatophenyl)ethanone;Ethanone, 1-(3-isocyanatophenyl)- (9CI);3-ACETYLPHENYL ISOCYANATE 97%;3-Acetylphenyl isocyanate, 97% 10GR;3-Acetylphenyl isocyanate, 97% 1GR

  • Categories:

    Chemical Reagents  >  Organic Reagents

Description

clear yellow to light brown liquid after melting

3-ACETYLPHENYL ISOCYANATE Basic Attributes

161.16

161.04800

387294

223087

2929109000

Characteristics

46.50000

1.85650

Clear yellow to light brown Liquid After Melting

1.174 g/mL at 25 °C(lit.)

33-34 °C(lit.)

155 °C4 mm Hg(lit.)

>230 °F

n20/D 1.563(lit.)

0.00658mmHg at 25°C

Safety Information

III

6.1

2206

3

20/21/22-36/37/38

7-26-27-37/39

Xn,Xi

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 42 companies from 2 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:219
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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