Methacrylonitrile

C₄H₅NCAS 126-98-767.09 g/mol

Open in Covalent MOL file

Alkene Nitrile

Properties

Molecular formula: C₄H₅N
Molar mass: 67.09 g/mol
Exact mass: 67.0422 Da
Density: 0.8001 g/mL (at 20 °C)
Melting point: −35.8 °C
Boiling point: 90.3 °C
Flash point: 1.1 °C (closed cup)
Water solubility: 10–50 g/L (22.2 °C)
logP: 1.09Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vaporFlammable liquids
H301 Toxic if swallowedAcute toxicity, oral
H311 Toxic in contact with skinAcute toxicity, dermal
H317 May cause an allergic skin reactionSensitization, Skin
H331 Toxic if inhaledAcute toxicity, inhalation

Harmonised EU classification (CLP Annex VI, index 608-010-00-2), via PubChem.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P262, P264, P270, P271, P272, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P316, P321, P330, P333+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

126-98-7

SMILES

C=C(C)C#N

InChIKey

GYCMBHHDWRMZGG-UHFFFAOYSA-N

InChI

InChI=1S/C4H5N/c1-4(2)3-5/h1H2,2H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

15 names · show all

2-Propenenitrile, 2-methyl-
2-Methyl-2-propenenitrile
Isopropene cyanide
Isopropenylnitrile
α-Methylacrylonitrile
2-Methylpropenenitrile
2-Cyano-1-propene
2-Cyanopropene
α-Methacrylonitrile
Methylacrylonitrile
2-Methylacrylonitrile
Methacrylnitrile
1-Methylethenyl cyanide
Isobutenenitrile
NSC 24145

Work with Methacrylonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Methyl-1-buten-3-yne78-80-843 % similar Isopropylidenemalononitrile13166-10-438 % similar 2-(Acetyloxy)-2-propenenitrile3061-65-237 % similar 2-Chloroacrylonitrile920-37-636 % similar Tetracyanoethylene670-54-233 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Allyl cyanide109-75-1 Pyrrole109-97-7 2-Butenenitrile4786-20-3 Cyclopropyl cyanide5500-21-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia