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5-Methyl-3-isoxazoleacetonitrile

5-Methyl-3-isoxazoleacetonitrile structure

CAS No:
35166-41-7
Formula:
C6H6N2O
Chemical Name:
5-Methyl-3-isoxazoleacetonitrile
Synonyms:
3-Isoxazoleacetonitrile,5-methyl-;5-Methyl-3-isoxazoleacetonitrile;(5-Methylisoxazol-3-yl)acetonitrile;2-(5-Methylisoxazol-3-yl)acetonitrile;2-(5-Methyl-1,2-oxazol-3-yl)acetonitrile

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5-Methyl-3-isoxazoleacetonitrile Basic Attributes

Molecular Weight：

122.12

Exact Mass：

122.12

Characteristics

Density：

1.131±0.06 g/cm3

Melting Point：

36-39 °C

Boiling Point：

264.1±25.0 °C(Predicted)

PKA：

-4.05±0.12

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:122.12
XLogP3:0.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:122.048012819
Monoisotopic Mass:122.048012819
Topological Polar Surface Area:49.8
Heavy Atom Count:9
Complexity:137
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-Methyl-3-isoxazoleacetonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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