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1-Ethyl 2-(2-thienylmethyl)propanedioate

1-Ethyl 2-(2-thienylmethyl)propanedioate structure

CAS No:
143468-96-6
Formula:
C10H12O4S
Chemical Name:
1-Ethyl 2-(2-thienylmethyl)propanedioate
Synonyms:
Propanedioic acid,2-(2-thienylmethyl)-,1-ethyl ester;Propanedioic acid,(2-thienylmethyl)-,monoethyl ester;1-Ethyl 2-(2-thienylmethyl)propanedioate;(2-Thienylmethyl)propanedioic acid monoethyl ester;Ethyl 2-carboxy-3-(2-thienyl)propionate;2-(Ethoxycarbonyl)-3-(thien-2-yl)propanoic acid;2-Carbethoxy-3-(2-thienyl)propanoic acid

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1-Ethyl 2-(2-thienylmethyl)propanedioate Basic Attributes

Molecular Weight：

228.26

Exact Mass：

228.26

EC Number：

415-680-8

DSSTox ID：

DTXSID30565990

HScode：

2934999090

Characteristics

PSA：

91.8

XLogP3：

1.55450

Density：

1.141 g/cm³ @ Temp: 20 °C

Boiling Point：

170 °C @ Press: 12.2 Torr

Flash Point：

172.7ºC

Refractive Index：

1.548

Vapor Pressure：

7.16E-06mmHg at 25°C

Safety Information

hazard class code：

38-41-43

safety instructions：

24-26-37/39

Marks：

Precautionary statement(s)：

P261, P264, P272, P280, P302+P352, P305+P351+P338, P310, P321, P332+P313, P333+P313, P362, P363, P501

Hazard Statements：

H315

GHS Classification：

|Danger|H315: Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P272, P280, P302+P352, P305+P351+P338, P310, P321, P332+P313, P333+P313, P362, P363, and P501|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|Aggregated GHS information provided by 233 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1-Ethyl 2-(2-thienylmethyl)propanedioate Use and Manufacturing

2-(2-Thienylmethyl)propanedioic Acid 1-Ethyl Ester is used in the preparatiom of angiotensin II receptor antagonists.

Computed Properties

Molecular Weight:228.27
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:228.04563003
Monoisotopic Mass:228.04563003
Topological Polar Surface Area:91.8
Heavy Atom Count:15
Complexity:242
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-Ethyl 2-(2-thienylmethyl)propanedioate

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

1-Ethyl 2-(2-thienylmethyl)propanedioate

SDS

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