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2-(2-methyl-1,3-thiazol-4-yl)acetonitrile

2-(2-methyl-1,3-thiazol-4-yl)acetonitrile structure

CAS No:
13458-33-8
Formula:
C6H6N2S
Chemical Name:
2-(2-methyl-1,3-thiazol-4-yl)acetonitrile
Synonyms:
2-Methyl-4-thiazolylacetonitrile; (2-Methyl-thiazol-4-yl)-acetonitril; 2-Methyl-4-thiazoleacetonitrile; 4-cyanomethyl-2-methyl thiazole; (2-methyl-thiazol-4-yl)-acetonitrile; 4-Thiazoleacetonitrile,2-methyl; (2-methyl-1,3-thiazol-4-yl)acetonitrile;Expand

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2-(2-methyl-1,3-thiazol-4-yl)acetonitrile Basic Attributes

Molecular Weight：

138.19000

Exact Mass：

138.02516937 g/mol

DSSTox ID：

DTXSID00368071

HScode：

2934100090

Characteristics

PSA：

64.92000

XLogP3：

1.51758

Density：

1.205g/cm3

Boiling Point：

261.8ºC at 760 mmHg

Flash Point：

112.1ºC

Refractive Index：

1.559

Vapor Pressure：

0.0113mmHg at 25°C

Safety Information

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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:138.19
XLogP3:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:138.02516937
Monoisotopic Mass:138.02516937
Topological Polar Surface Area:64.9
Heavy Atom Count:9
Complexity:137
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(2-methyl-1,3-thiazol-4-yl)acetonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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