Acetylmalononitrile - CAS 1187-11-7

Catalog:	BB004237
Product Name:	Acetylmalononitrile
CAS:	1187-11-7
Synonyms:	2-Acetylmalononitrile; Propanedinitrile, acetyl-

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Catalog	Size	Price	Stock	Quantity
BB004237	100 g	$4980	In stock

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Technical Data

Safety and Hazards

Patents

Computed Properties

QC Data

IUPAC Name:	2-acetylpropanedinitrile
Description:	Acetylmalononitrile is a useful research chemical.
Molecular Weight:	108.10
Molecular Formula:	C5H4N2O
Canonical SMILES:	CC(=O)C(C#N)C#N
InChI:	InChI=1S/C5H4N2O/c1-4(8)5(2-6)3-7/h5H,1H3
InChI Key:	FGRLXMNNTHBYKL-UHFFFAOYSA-N
Boiling Point:	152.7 °C at 760 mmHg
Melting Point:	138-141°C
Density:	1.133 g/cm³
Appearance:	Beige crystalline powder
MDL:	MFCD00129155
LogP:	0.23876

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Related Functional Groups

Nitrogen Compounds

[62838-59-9]C8H12N2
1-Cyclopentyl-1H-pyrazole
[1281984-38-0]C8H10N4O4
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[618-40-6]C7H10N2
1-Methyl-1-phenylhydrazine
[5724-76-5]C7H9NO4
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid
[514801-07-1]C13H12ClN3O4
3-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde
[150517-77-4]C8H7F4N
3-Fluoro-5-(trifluoromethyl)benzylamine

GHS Hazard Statement:	H302+H312 (100%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]; 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]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
DE-102018201548-A1	Electrolytic composition for electrochemical cell for high temperature applications	20180201
WO-2019149812-A1	Electrolyte composition for electrochemical cell for high-temperature applications	20180201
KR-101584170-B1	Three dimensional structured carbon supported catalyst using carbon nantotubes and method for preparing the same	20140417
KR-20150120259-A	Three dimensional structured carbon supported catalyst using carbon nantotubes and method for preparing the same	20140417
US-2015331314-A1	Pattern forming method, compound used therein, actinic ray-sensitive or radiation-sensitive resin composition, resist film, manufacturing method of electronic device, and electronic device	20130131

Complexity:	173
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	108.032362755
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	108.032362755
Rotatable Bond Count:	1
Topological Polar Surface Area:	64.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2