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3,4,5-TRIMETHOXYPHENYLISOCYANATE

3,4,5-TRIMETHOXYPHENYLISOCYANATE structure

CAS No:
1016-19-9
Formula:
C10H11NO4
Chemical Name:
3,4,5-TRIMETHOXYPHENYLISOCYANATE
Synonyms:
3,4,5-Trimethoxyphenyl isocyanate;5-Isocyanato-1,2,3-trimethoxybenzene;3,4,5-Trimethoxyphenyl cyanate;3,4,5-trimethoxyphenylisocyanate;3,4,5-trimethoxybenzenisocyanate;ACMC-20ang3;Benzene, 5-isocyanato-1,2,3-trimethoxy-;SCHEMBL374491;CTK3J6021;DTXSID50333714
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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3,4,5-TRIMETHOXYPHENYLISOCYANATE Basic Attributes

Molecular Weight：

209.19900

Exact Mass：

209.06900

DSSTox ID：

DTXSID50333714

HScode：

2929109000

Characteristics

PSA：

57.12000

XLogP3：

1.67970

Density：

1.13g/cm3

Melting Point：

42-45ºC

Boiling Point：

102-110ºC 0,4mm

Flash Point：

148.5ºC

Refractive Index：

1.494

Safety Information

Packing level：

Hazard category：

6.1

Transport codes：

UN 2811

hazard class code：

R20/22;R36/37/38;R42

safety instructions：

S22-S26-S36/37/39-S45

Marks：

Xn: Harmful;

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H312-H315-H319-H332-H335

GHS Classification：

|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:209.20
XLogP3:2.6
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:209.06880783
Monoisotopic Mass:209.06880783
Topological Polar Surface Area:57.1
Heavy Atom Count:15
Complexity:226
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,4,5-TRIMETHOXYPHENYLISOCYANATE

Basic Attributes
Characteristics
Safety Information
Computed Properties
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