Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Fumaronitrile

Related Products

Hot Products

Name

Fumaronitrile

EINECS 212-122-3
CAS No. 764-42-1 Density 1.041 g/cm3
PSA 47.58000 LogP 0.58976
Solubility Water solubility: slight Melting Point 93-95 °C(lit.)
Formula C4H2N2 Boiling Point 187.3 °C at 760 mmHg
Molecular Weight 78.0733 Flash Point 82.6 °C
Transport Information UN 3439 6.1/PG 3 Appearance brown crystalline solid
Safety 36/37/39-45 Risk Codes 23/25
Molecular Structure Molecular Structure of 764-42-1 (FUMARONITRILE) Hazard Symbols ToxicT
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;

Article Data 55

Fumaronitrile Consensus Reports

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

Fumaronitrile 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) Effect 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.

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 764-42-1