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METHYL 3-ISOCYANATOBENZOATE

METHYL 3-ISOCYANATOBENZOATE structure

METHYL 3-ISOCYANATOBENZOATE 

structure
  • CAS No:

    41221-47-0

  • Formula:

    C9H7NO3

  • Chemical Name:

    METHYL 3-ISOCYANATOBENZOATE

  • Synonyms:

    METHYL 3-ISOCYANATOBENZOATE;3-(METHOXYCARBONYL)PHENYL ISOCYANATE;3-CARBOMETHOXYPHENYL ISOCYANATE;3-Carbomethoxyphenyl isocyanate, GC 97%;3-CARBOMETHOXYPHENYL ISOCYANATE 99%;3-Carbomethoxyphenyl isocyanate,99%;3-isocyanatobenzoic acid methyl ester

  • Categories:

    Chemical Reagents  >  Organic Reagents

Description

OFF-WHITE TO LIGHT BROWN CRYSTALLINE SOLID

METHYL 3-ISOCYANATOBENZOATE Basic Attributes

177.16

177.04300

-0

DTXSID80369864

2929109000

Characteristics

55.7

1.44050

1.15g/cm3

35-38 °C(lit.)

271.4ºC at 760 mmHg

>230 °F

1.528

0-6°C

Safety Information

III

6.1

2811

3

43

36/37

Xi

P261-P342 + P311

H334

|Danger|H302 (11.63%): 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, P330, P332+P313, P337+P313, P342+P311, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:177.16
XLogP3:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:177.042593085
Monoisotopic Mass:177.042593085
Topological Polar Surface Area:55.7
Heavy Atom Count:13
Complexity:233
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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