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4-THIAZOLYLACETONITRILE

4-THIAZOLYLACETONITRILE structure

CAS No:
7709-59-3
Formula:
C5H4N2S
Chemical Name:
4-THIAZOLYLACETONITRILE
Synonyms:
4-THIAZOLYLACETONITRILE;2-(1,3-thiazol-4-yl)acetonitrile;4-Thiazoleacetonitrile;2-(thiazol-4-yl)acetonitrile;thiazol-4-yl-acetonitrile;SCHEMBL3334955;CTK2H6980;DTXSID10376309;ZINC2584053;AKOS002662833

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4-THIAZOLYLACETONITRILE Basic Attributes

Molecular Weight：

124.161

Exact Mass：

124.01000

DSSTox ID：

DTXSID10376309

Characteristics

PSA：

64.9

XLogP3：

1.20918

Density：

1.262 g/cm3

Boiling Point：

265.8ºCat 760 mmHg

Flash Point：

114.5ºC

Refractive Index：

1.568

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:124.17
XLogP3:0.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:124.00951931
Monoisotopic Mass:124.00951931
Topological Polar Surface Area:64.9
Heavy Atom Count:8
Complexity:115
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-THIAZOLYLACETONITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties

4-THIAZOLYLACETONITRILE

SDS

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