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3,5-Dimethyl-4-isoxazolecarbonitrile

3,5-Dimethyl-4-isoxazolecarbonitrile structure

CAS No:
31301-46-9
Formula:
C6H6N2O
Chemical Name:
3,5-Dimethyl-4-isoxazolecarbonitrile
Synonyms:
4-Isoxazolecarbonitrile,3,5-dimethyl-;3,5-Dimethyl-4-isoxazolecarbonitrile;4-Cyano-3,5-dimethylisoxazole;3,5-Dimethyl-1,2-oxazole-4-carbonitrile

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3,5-Dimethyl-4-isoxazolecarbonitrile Basic Attributes

Molecular Weight：

122.12

Exact Mass：

122.12

DSSTox ID：

DTXSID70379836

HScode：

2934999090

Characteristics

PSA：

49.82000

XLogP3：

1.16308

Density：

1.13±0.1 g/cm3

Melting Point：

46 °C

Boiling Point：

30 °C @ Press: 1.5 Torr

Flash Point：

104.2ºC

Refractive Index：

1.487

PKA：

-3.32±0.28

Safety Information

hazard class code：

Marks：

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, 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
XLogP3:0.9
Hydrogen Bond Acceptor Count:3
Exact Mass:122.048012819
Monoisotopic Mass:122.048012819
Topological Polar Surface Area:49.8
Heavy Atom Count:9
Complexity:148
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: dichlorine heptoxide; bromobenzene density; aluminum polyphosphate; density of cyclooctene; ribose for skin; 2-hexanone

Guide of 3,5-Dimethyl-4-isoxazolecarbonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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