Fumaronitrile

Names

[ CAS No. ]:
764-42-1

[ Name ]:
Fumaronitrile

[Synonym ]:
(2E)-But-2-endinitril
2-Butenedinitrile,(E)
(2E)-2-Butenedinitrile
2-Butenedinitrile,(2E)
trans-but-2-enedinitrile
Fumaric nitrile
Fumarodinitrile
2-Butenedinitrile, (2E)-
MFCD00001928
Fumaronitrile
But-2-enedinitrile
1,2-dicyanoethylene
Furmaronitrile
EINECS 212-122-3
(2E)-But-2-enedinitrile
trans-1,2-Dicyanoethylene

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
187.3±13.0 °C at 760 mmHg

[ Melting Point ]:
93-95 °C(lit.)

[ Molecular Formula ]:
C₄H₂N₂

[ Molecular Weight ]:
78.072

[ Flash Point ]:
82.6±13.7 °C

[ Exact Mass ]:
78.021797

[ PSA ]:
47.58000

[ LogP ]:
-0.19

[ Vapour Pressure ]:
0.6±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.458

[ Storage condition ]:
2-8°C

[ Stability ]:
Stable. Incompatible with strong acids, strong bases, strong oxidizing agents, strong reducing agents.

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: LT2300000

CHEMICAL NAME :: Fumaronitrile

CAS REGISTRY NUMBER :: 764-42-1

LAST UPDATED :: 199710

DATA ITEMS CITED :: 7

MOLECULAR FORMULA :: C4-H2-N2

MOLECULAR WEIGHT :: 78.08

WISWESSER LINE NOTATION :: NC1U1CN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 132 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 38 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 56 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :: Sex chromosome loss and nondisjunction

TEST SYSTEM :: Yeast - Saccharomyces cerevisiae

DOSE/DURATION :: 17 mg/L

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 241,255,1990

Safety Information

[ Symbol ]:

GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H301-H301 + H331-H331

[ Precautionary Statements ]:
P261-P301 + P310-P311

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges

[ Hazard Codes ]:
T:Toxic;

[ Risk Phrases ]:
R23/24/25

[ Safety Phrases ]:
S36/37/39-S45

[ RIDADR ]:
UN 3439 6.1/PG 3

[ WGK Germany ]:
3

[ RTECS ]:
LT2300000

[ Packaging Group ]:
II

[ Hazard Class ]:
6.1

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Articles

Effect of dosing vehicle on the toxicity and metabolism of unsaturated aliphatic nitriles.

J. Appl. Toxicol. 15(5) , 411-20, (1995)

The effect of dosing vehicle on toxicity and metabolism of unsaturated aliphatic nitriles was investigated in male Sprague-Dawley rats. Five unsaturated aliphatic nitriles--acrylonitrile, methacryloni...

Ultrafast excited state dynamics of the perylene radical cation generated upon bimolecular photoinduced electron transfer reaction.

J. Phys. Chem. A 110(24) , 7547-53, (2006)

The ultrafast ground state recovery (GSR) dynamics of the radical cation of perylene, Pe(*+), generated upon bimolecular photoinduced electron transfer in acetonitrile, has been investigated using pum...

η1-Allylpalladium complexes with a tridentate PNP ligand with different phosphino groups.

Dalton Trans. 41(40) , 12490-500, (2012)

The iminodiphosphine 2-(PPh(2))C(6)H(4)-1-CH=NC(6)H(4)-2-(PPh(2)) (P-N-P') is used for the preparation of the complexes [Pd(η(1)-CHR(1)-CH=CR(2)R(3))(P-N-P')]BF(4) [R(1) = R(2) = R(3) = H: (1); R(1) =...