CAS No.764-42-1,FUMARONITRILE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	764-42-1
Name:	FUMARONITRILE
Article Data:	55

Formula:	C₄H₂N₂
Molecular Weight:	78.0733
Synonyms:	2-Butenedinitrile,(E)-;Fumaronitrile (6CI,8CI);(E)-1,2-Dicyanoethylene;(E)-2-Butenedinitrile;Fumaric dinitrile;Fumaric nitrile;Fumarodinitrile;NSC 17555;trans-1,2-Dicyanoethene;trans-1,2-Dicyanoethylene;trans-Butenedinitrile;trans-Dicyanobutene;trans-Dicyanoethylene;
EINECS:	212-122-3
Density:	1.041 g/cm³
Melting Point:	93-95 °C(lit.)
Boiling Point:	187.3 °C at 760 mmHg
Flash Point:	82.6 °C
Solubility:	Water solubility: slight
Appearance:	brown crystalline solid
Hazard Symbols:	T
Risk Codes:	23/25
Safety:	36/37/39-45
Transport Information:	UN 3439 6.1/PG 3
PSA:	47.58000
LogP:	0.58976

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Consensus Reports

Reported in EPA TSCA Inventory. Cyanide and its compounds are on the Community Right-To-Know List.

Specification

The Fumaronitrile, with the CAS registry number 764-42-1, is also known as 2-Butenedinitrile, (E)-. It belongs to the product categories of Dinitriles; Dinitriles & Trinitriles. Its EINECS registry number is 212-122-3. This chemical's molecular formula is C₄H₂N₂ and molecular weight is 78.07208. Its IUPAC name is called (E)-but-2-enedinitrile. This chemical's classification code is Mutation data. This chemical can be used in organic synthesis.

Physical properties of Fumaronitrile: (1)ACD/LogP: -0.19; (2)ACD/LogD (pH 5.5): -0.19; (3)ACD/LogD (pH 7.4): -0.19; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 18.81; (7)ACD/KOC (pH 7.4): 18.81; (8)#H bond acceptors: 2; (9)Index of Refraction: 1.458; (10)Molar Refractivity: 20.46 cm³; (11)Molar Volume: 74.9 cm³; (12)Surface Tension: 45.9 dyne/cm; (13)Density: 1.041 g/cm³; (14)Flash Point: 82.6 °C; (15)Enthalpy of Vaporization: 42.35 kJ/mol; (16)Boiling Point: 187.3 °C at 760 mmHg; (17)Vapour Pressure: 0.635 mmHg at 25°C.

Preparation: this chemical can be prepared by fumaric acid. By esterification, this chemical can obtain fumaric acid diethyl ester. At last, it will get fumaric nitrile via amidation.

Uses of Fumaronitrile: it can be used to produce succinonitrile at temperature of 140 °C. This reaction will need reagent copper and diethyl ether.

When you are using this chemical, please be cautious about it as the following:
This chemical that at low levels can cause damage to health. It is toxic by inhalation and if swallowed. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(=CC#N)C#N
(2)Isomeric SMILES: C(=C/C#N)\C#N
(3)InChI: InChI=1S/C4H2N2/c5-3-1-2-4-6/h1-2H/b2-1+
(4)InChIKey: KYPOHTVBFVELTG-OWOJBTEDSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intraperitoneal	38mg/kg (38mg/kg)	Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. Vol. 19, Pg. 225, 1969.
mouse	LD50	intravenous	56mg/kg (56mg/kg)	U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#05718,
rat	LD50	oral	132mg/kg (132mg/kg)	Toxicology Letters. Vol. 12, Pg. 157, 1982.