2,2-dimethyl-3-oxobutanenitrile, 95%

Name: 2,2-dimethyl-3-oxobutanenitrile
Brand: Chempure

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CAS Number

37719-02-1

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IUPAC name	2,2-dimethyl-3-oxobutanenitrile
inchi	InChI=1S/C6H9NO/c1-5(8)6(2,3)4-7/h1-3H3
inchi key	GWBVNZWGZJJONZ-UHFFFAOYSA-N
molecular formula	C6H9NO
synonyms	2,2-Dimethyl-3-oxobutanenitrile 37719-02-1 Butanenitrile, 2,2-dimethyl-3-oxo- (9CI) Butanenitrile, 2,2-dimethyl-3-oxo- Butanenitrile,2,2-dimethyl-3-oxo-

Computed Properties

Molecular Weight:	111.14 g/mol
XLogP3:	0.8
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	1
Exact Mass:	111.068413911 g/mol
Monoisotopic Mass:	111.068413911 g/mol
Topological Polar Surface Area:	40.9 Å²
Heavy Atom Count:	8
Formal Charge:	0
Complexity:	149
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Flam. Liq. 3 (100%) Acute Tox. 4 (100%) Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501
hazard statements	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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Product No: CD8375

2,2-dimethyl-3-oxobutanenitrile, 95%

Product No: CD8375

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Product No: CD8375

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NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?