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3 4-DIMETHOXYPHENETHYL ISOCYANATE97

3 4-DIMETHOXYPHENETHYL ISOCYANATE97 structure

CAS No:
35167-81-8
Formula:
C11H13NO3
Chemical Name:
3 4-DIMETHOXYPHENETHYL ISOCYANATE97
Synonyms:
3,4-Dimethoxyphenethyl isocyanate;4-(2-isocyanatoethyl)-1,2-dimethoxybenzene;Benzene, 4-(2-isocyanatoethyl)-1,2-dimethoxy-;ACMC-20aneq;SCHEMBL1846794;CTK8C5982;DTXSID00409352;ZINC2526525;AKOS010079085;3,4-Dimethoxyphenethyl isocyanate, 97%

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3 4-DIMETHOXYPHENETHYL ISOCYANATE97 Basic Attributes

Molecular Weight：

207.228

Exact Mass：

207.09000

DSSTox ID：

DTXSID00409352

HScode：

2929109000

Characteristics

PSA：

47.89000

XLogP3：

1.58210

Density：

1.1370 g/mL at 25ºC(lit.)

Boiling Point：

295-296 °C(lit.)

Flash Point：

>230 °F

Refractive Index：

n20/D 1.5360(lit.)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

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

safety instructions：

23-26-36

Marks：

Precautionary statement(s)：

P261-P280-P305 + P351 + P338-P342 + P311

Hazard Statements：

H302-H312-H315-H319-H332-H334-H335

GHS Classification：

|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:207.23
XLogP3:2.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:207.08954328
Monoisotopic Mass:207.08954328
Topological Polar Surface Area:47.9
Heavy Atom Count:15
Complexity:226
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3 4-DIMETHOXYPHENETHYL ISOCYANATE97

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

3 4-DIMETHOXYPHENETHYL ISOCYANATE97

SDS

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