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1-Methylethyl 2-cyanoacetate

1-Methylethyl 2-cyanoacetate structure

CAS No:
13361-30-3
Formula:
C6H9NO2
Chemical Name:
1-Methylethyl 2-cyanoacetate
Synonyms:
Acetic acid,2-cyano-,1-methylethyl ester;Acetic acid,cyano-,isopropyl ester;Acetic acid,cyano-,1-methylethyl ester;1-Methylethyl 2-cyanoacetate;Isopropyl cyanoacetate;Isopropyl 2-cyanoacetate;Cyanoacetic acid isopropyl ester;NSC 1071
Categories:
Chemical Reagents > Organic Reagents

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1-Methylethyl 2-cyanoacetate Basic Attributes

Molecular Weight：

127.14

Exact Mass：

127.14

BRN：

1756014

EC Number：

236-421-3

UNII：

0V3MGI9XMA

NSC Number：

1071

DSSTox ID：

DTXSID20158198

HScode：

29269090

Characteristics

PSA：

50.1

XLogP3：

0.41

Density：

1.0114 g/cm³ @ Temp: 20 °C

Boiling Point：

205.5 °C @ Press: 754 Torr

Flash Point：

99°C

Refractive Index：

n 20/D 1.416

Water Solubility：

Slightly soluble in water.

Vapor Pressure：

0.441mmHg at 25°C

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

23-24/25-36/37/39-26-37

RTECS Number：

AG4270000

Marks：

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:127.14
XLogP3:0.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:127.063328530
Monoisotopic Mass:127.063328530
Topological Polar Surface Area:50.1
Heavy Atom Count:9
Complexity:142
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Isopropanol

Price Analysis

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Guide of 1-Methylethyl 2-cyanoacetate

Basic Attributes
Characteristics
Safety Information
Computed Properties
Material
Price Analysis
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1-Methylethyl 2-cyanoacetate

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