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Ethyl α-cyano-α-ethylbenzeneacetate

Ethyl α-cyano-α-ethylbenzeneacetate structure

CAS No:
718-71-8
Formula:
C13H15NO2
Chemical Name:
Ethyl α-cyano-α-ethylbenzeneacetate
Synonyms:
Benzeneacetic acid,α-cyano-α-ethyl-,ethyl ester;Butyric acid,2-cyano-2-phenyl-,ethyl ester;Ethyl α-cyano-α-ethylbenzeneacetate;Ethyl cyanoethylphenylacetate;NSC 69121;98459-42-8
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Yellowish Oil

Ethyl α-cyano-α-ethylbenzeneacetate Basic Attributes

Molecular Weight：

217.26

Exact Mass：

217.26

EC Number：

615-622-3

NSC Number：

69121

DSSTox ID：

DTXSID60290526

HScode：

2926909090

Characteristics

PSA：

50.1

XLogP3：

2.8

Density：

1.036-1.040 g/cm³ @ Temp: 20 °C

Boiling Point：

100-140 °C @ Press: 0.2 Torr

Flash Point：

153.6±9.1 °C

Refractive Index：

1.507

Safety Information

Precautionary statement(s)：

P201, P202, P264, P280, P281, P302+P352, P305+P351+P338, P308+P313, P321, P332+P313, P337+P313, P362, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]|P201, P202, P264, P280, P281, P302+P352, P305+P351+P338, P308+P313, P321, P332+P313, P337+P313, P362, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:217.26
XLogP3:2.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:217.110278721
Monoisotopic Mass:217.110278721
Topological Polar Surface Area:50.1
Heavy Atom Count:16
Complexity:286
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Hangzhou KieRay Chem Co.,LTD Contact Supplier

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Ethylphenylcyano-acetic acid ethyl ester

CAS No.: 718-71-8

Grade: industrial Grade

Content: 98%

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Hangzhou Royalchem Co.,LTD Contact Supplier

CN
2 YRS

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Ethylphenylcyano-acetic acid ethyl ester RC03747

Unit Price: $1 /KG EXW

CAS No.: 718-71-8

Grade: Industrial Grade

Content: 99%

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Guide of Ethyl α-cyano-α-ethylbenzeneacetate

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
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Ethyl α-cyano-α-ethylbenzeneacetate

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