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Benzeneacetic acid, α-cyano-, ethyl ester

Benzeneacetic acid, α-cyano-, ethyl ester structure

CAS No:
4553-07-5
Formula:
C11H11NO2
Chemical Name:
Benzeneacetic acid, α-cyano-, ethyl ester
Synonyms:
Benzeneacetic acid,α-cyano-,ethyl ester;Acetic acid,cyanophenyl-,ethyl ester;Ethyl α-cyanophenylacetate;Phenylcyanoacetic acid ethyl ester;Ethyl cyanophenylacetate;Ethyl 2-cyano-2-phenylacetate;Ethyl α-cyano-α-phenylacetate;Ethyl (±)-2-cyano-2-phenylacetate;NSC 362;Ethyl 2-phenyl-2-cyanoacetate;Ethyl α-cyanobenzeneacetate;64077-28-7
Categories:
Chemical Reagents > Organic Reagents

Description

clear colorless to light yellow liquid

Ethyl phenylcyanoacetate is an alpha-substituted cyanoacetate ester that consists of ethyl cyanoacetate bearing an alpha-phenyl substituent. It is an alpha-substituted cyanoacetate ester and an ethyl ester.

Benzeneacetic acid, α-cyano-, ethyl ester Basic Attributes

Molecular Weight：

189.21

Exact Mass：

189.21

BRN：

611232

EC Number：

224-921-4

NSC Number：

362

HScode：

2926909090

Characteristics

PSA：

50.1

XLogP3：

2.1

Appearance：

Clear colorless to light yellow Liquid

Density：

1.085 g/cm³ @ Temp: 17 °C

Melting Point：

115-116 °C

Boiling Point：

163-165 °C @ Press: 10 Torr

Flash Point：

>110°C

Refractive Index：

1.5033-1.5053

Storage Conditions：

Refrigerator

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN3276

wgk germany：

hazard class code：

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

safety instructions：

23-37/39-26

Marks：

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 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:189.21
XLogP3:2.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:189.078978594
Monoisotopic Mass:189.078978594
Topological Polar Surface Area:50.1
Heavy Atom Count:14
Complexity:235
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Benzeneacetic acid, α-cyano-, ethyl ester

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Latest News
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Benzeneacetic acid, α-cyano-, ethyl ester

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