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627-26-9

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Basic Information
CAS No.: 627-26-9
Name: (2E)-2-Butenenitrile
Article Data: 113
Molecular Structure:
Molecular Structure of 627-26-9 ((2E)-2-Butenenitrile)
Formula: C4H5 N
Molecular Weight: 67.0904
Synonyms: 2-Butenenitrile,(E)-; Crotononitrile, (E)- (8CI); (2E)-But-2-enenitrile; (E)-2-Butenenitrile;(E)-Crotononitrile; trans-1-Propenyl cyanide; trans-2-Butenenitrile;trans-Crotonitrile; trans-Crotononitrile; trans-b-Methylacrylonitrile
Density: 0.8070
Melting Point: -51.15°C
Boiling Point: 108.92°C (estimate)
Flash Point: 16°C(lit.)
Safety: A poison. Very reactive. A very dangerous fire hazard when exposed to heat or flame. When heated to decomposition it emits toxic fumes of CN−. See also CYANIDE.
PSA: 23.79000
LogP: 1.08608
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Chemistry

Product Name: (E)-2-Butenenitrile 
CAS Registry Number: 627-26-9 
Other Names: 2-Butenenitrile, (E)- ; Crotononitrile, (E)- (8CI) ; (2E)-But-2-enenitrile ; (E)-2-Butenenitrile ; (E)-Crotononitrile ; trans-1-Propenyl cyanide ; trans-2-Butenenitrile ; trans-Crotonitrile ; trans-Crotononitrile ; trans-.beta.-Methylacrylonitrile 
IUPAC Name: (E)-but-2-enenitrile
Molecular Weight: 67.0892 [g/mol]
Molecular Formula: C4H5N
XLogP3-AA: 0.8
H-Bond Acceptor: 1 
Surface Tension: 27.5 dyne/cm
Density: 0.822 g/cm3
Flash Point: 20 °C
Enthalpy of Vaporization: 35.86 kJ/mol
Boiling Point: 120.5 °C at 760 mmHg
Vapour Pressure: 15.2 mmHg at 25°C
Following is the molecular structure of (E)-2-Butenenitrile (CAS NO.627-26-9) is:

Consensus Reports

Cyanide and its compounds are on the Community Right-To-Know List.

Safety Profile

A poison. Very reactive. A very dangerous fire hazard when exposed to heat or flame. When heated to decomposition it emits toxic fumes of CN−.

Specification

Descriptors computed from structure, you can know some information about (E)-2-Butenenitrile (CAS NO.627-26-9) :
Canonical SMILES: CC=CC#N
Isomeric SMILES: C/C=C/C#N
InChI: InChI=1S/C4H5N/c1-2-3-4-5/h2-3H,1H3/b3-2+
InChIKey: NKKMVIVFRUYPLQ-NSCUHMNNSA-N
Exact Mass: 67.042199
MonoIsotopic Mass: 67.042199
Topological Polar Surface Area: 23.8
Heavy Atom Count: 5