Tricyanoaminopropene

Names

[ CAS No. ]:
868-54-2

[ Name ]:
Tricyanoaminopropene

[Synonym ]:
Tricyanoaminopropene
EINECS 212-777-5
1-Propene-1,1,3-tricarbonitrile, 2-amino-
MFCD00001851
2-Amino-1-propene-1,1,3-tricarbonitrile
1,1,3-tricyano-2-amino-1-propene
2-aminoprop-1-ene-1,1,3-tricarbonitrile

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
591.9±50.0 °C at 760 mmHg

[ Melting Point ]:
171-173 °C(lit.)

[ Molecular Formula ]:
C₆H₄N₄

[ Molecular Weight ]:
132.123

[ Flash Point ]:
311.8±30.1 °C

[ Exact Mass ]:
132.043594

[ PSA ]:
97.39000

[ LogP ]:
-0.13

[ Vapour Pressure ]:
0.0±1.7 mmHg at 25°C

[ Index of Refraction ]:
1.541

[ Storage condition ]:
2-8°C

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UD2340000

CHEMICAL NAME :: 1-Propene-1,1,3-tricarbonitrile, 2-amino-

CAS REGISTRY NUMBER :: 868-54-2

BEILSTEIN REFERENCE NO. :: 1756131

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C6-H4-N4

MOLECULAR WEIGHT :: 132.14

WISWESSER LINE NOTATION :: NCYCN&UYZ&1CN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 180 mg/kg

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

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#01433

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn: Harmful;

[ Risk Phrases ]:
R22

[ Safety Phrases ]:
S22-S24/25

[ RIDADR ]:
UN 3259 8/PG 3

[ WGK Germany ]:
3

[ RTECS ]:
UD2340000

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2926909090

[ Summary ]:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Articles

Synthesis, characterization and optical properties of merocyanines derived from malononitrile dimer. Alias S, et al.

Tetrahedron Lett. 48(37) , 6539-6542, (2007)

An improved and facile synthesis of 2-amino-1, 1, 3-tricyanopropene. Mittelbach M.

Monatsh. Chem 116(5) , 689-691, (1985)