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Home > Encyclopedia > 3,4-Dimethoxybenzylisocyanate

3,4-Dimethoxybenzylisocyanate

3,4-Dimethoxybenzylisocyanate structure

3,4-Dimethoxybenzylisocyanate 

structure
  • CAS No:

    87665-57-4

  • Formula:

    C10H11NO3

  • Chemical Name:

    3,4-Dimethoxybenzylisocyanate

  • Synonyms:

    3,4-DIMETHOXYBENZYL ISOCYANATE;4-(isocyanatomethyl)-1,2-dimethoxybenzene;4-Isocyanatomethyl-1,2-dimethoxy-benzene;ACMC-20anex;SCHEMBL2892322;CTK5F8824;DTXSID80640600;ZINC11802378;3,4-Dimethoxybenzyl isocyanate, 97%;AKOS012410893

3,4-Dimethoxybenzylisocyanate Basic Attributes

193.2

193.07400

DTXSID80640600

2929109000

Characteristics

47.89000

1.53960

1.184 g/mL at 25ºC(lit.)

n20/D 1.5470(lit.)

Safety Information

UN22066.1/PG3

20/21/22-36/37/38-42

23-26-36-45

Xn

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, P501

H302

|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 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:193.20
XLogP3:2.2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:193.07389321
Monoisotopic Mass:193.07389321
Topological Polar Surface Area:47.9
Heavy Atom Count:14
Complexity:213
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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