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3-(ETHOXYCARBONYL)PHENYL ISOCYANATE

3-(ETHOXYCARBONYL)PHENYL ISOCYANATE structure

CAS No:
67531-68-4
Formula:
C10H9NO3
Chemical Name:
3-(ETHOXYCARBONYL)PHENYL ISOCYANATE
Synonyms:
3-(ETHOXYCARBONYL)PHENYL ISOCYANATE;3-CARBETHOXYPHENYL ISOCYANATE;ETHYL 3-ISOCYANATOBENZOATE;3-Carboethoxyphenyl isocyanate~Ethyl 3-isocyanatobenzoate;Benzoic acid, 3-isocyanato-, ethyl ester (9CI);3-carboethoxyphenyl isocyanate
Categories:
Chemical Reagents > Organic Reagents

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3-(ETHOXYCARBONYL)PHENYL ISOCYANATE Basic Attributes

Molecular Weight：

191.18

Exact Mass：

191.05800

BRN：

7636626

EC Number：

-0

DSSTox ID：

DTXSID70343451

HScode：

2929109000

Characteristics

PSA：

55.7

XLogP3：

1.83060

Density：

1.154 g/mL at 25 °C(lit.)

Boiling Point：

213 °C(lit.)

Flash Point：

>230 °F

Refractive Index：

n20/D 1.531(lit.)

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

2206

wgk germany：

hazard class code：

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

safety instructions：

26-27-37/39

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 42 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:191.18
XLogP3:3.3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:191.058243149
Monoisotopic Mass:191.058243149
Topological Polar Surface Area:55.7
Heavy Atom Count:14
Complexity:246
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(ETHOXYCARBONYL)PHENYL ISOCYANATE

Basic Attributes
Characteristics
Safety Information
Computed Properties
Latest News
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3-(ETHOXYCARBONYL)PHENYL ISOCYANATE

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