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ETHYL2-ISOCYANATOBENZOATE

ETHYL2-ISOCYANATOBENZOATE structure

CAS No:
76393-16-3
Formula:
C10H9NO3
Chemical Name:
ETHYL2-ISOCYANATOBENZOATE
Synonyms:
2-(ETHOXYCARBONYL)PHENYL ISOCYANATE;ETHYL 2-ISOCYANATOBENZOATE;2-Carbethoxyphenyl isocyanate;2-Carboethoxyphenyl isocyanate~Ethyl 2-isocyanatobenzoate;2-carboethoxyphenyl isocyanate;Benzoic acid, 2-isocyanato-, ethyl ester (9CI);Ethyl 2-isocyanatobenzoate 97%

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ETHYL2-ISOCYANATOBENZOATE Basic Attributes

Molecular Weight：

191.18

Exact Mass：

191.058243149 g/mol

DSSTox ID：

DTXSID70335013

Characteristics

PSA：

55.7 Å²

Melting Point：

28-31 °C (lit.)

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

2206

wgk germany：

hazard class code：

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

safety instructions：

23-26-36/37/39-45

Marks：

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, 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
XLogP3:3.6
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 ETHYL2-ISOCYANATOBENZOATE

Basic Attributes
Characteristics
Safety Information
Computed Properties

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