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Home > Encyclopedia > 3,5-BIS(METHOXYCARBONYL)PHENYL ISOCYANATE

3,5-BIS(METHOXYCARBONYL)PHENYL ISOCYANATE

3,5-BIS(METHOXYCARBONYL)PHENYL ISOCYANATE structure

3,5-BIS(METHOXYCARBONYL)PHENYL ISOCYANATE 

structure
  • CAS No:

    46828-05-1

  • Formula:

    C11H9NO5

  • Chemical Name:

    3,5-BIS(METHOXYCARBONYL)PHENYL ISOCYANATE

  • Synonyms:

    Dimethyl 5-isocyanatoisophthalate;3,5-BIS(METHOXYCARBONYL)PHENYLISOCYANATE;ACMC-1ALCB;dimethyl 5-isocyanatobenzene-1,3-dicarboxylate;SCHEMBL4023712;CTK4I9596;DTXSID60409297;ZINC2384732;AKOS015894361;MCULE-4097462701

3,5-BIS(METHOXYCARBONYL)PHENYL ISOCYANATE Basic Attributes

235.19

235.04800

DTXSID60409297

2929109000

Characteristics

82.03000

1.22710

1.24g/cm3

106-109 °C(lit.)

350.3ºC at 760 mmHg

164.1ºC

1.533

Safety Information

UN 3335

3

20/21/22-36/37/38

23-26-36

Xn

P261-P280-P305 + P351 + P338

H302-H312-H315-H319-H332-H335

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

Computed Properties

Molecular Weight:235.19
XLogP3:2.4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:235.04807239
Monoisotopic Mass:235.04807239
Topological Polar Surface Area:82
Heavy Atom Count:17
Complexity:324
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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