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
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
Precursor & DownStream
Precursor
DownStream
Articles
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) =...