3-Amino-4-pyrazolecarbonitrile

Molecular Structure of 3-Amino-4-pyrazolecarbonitrile (CAS NO.16617-46-2):

IUPAC Name: 5-amino-1H-pyrazole-4-carbonitrile 
Empirical Formula: C₄H₄N₄
Molecular Weight: 108.1014
H bond acceptors: 4
H bond donors: 3
Freely Rotating Bonds: 0
Polar Surface Area: 78.49 Å²
Index of Refraction: 1.621
Molar Refractivity: 26.661 cm³
Molar Volume: 75.773 cm³
Melting point: 172-174 °C(lit.)
BRN: 2647
Surface Tension: 97.14 dyne/cm
Density: 1.427 g/cm³
Flash Point: 241.9 °C
Enthalpy of Vaporization: 74.007 kJ/mol
Boiling Point: 476.37 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
InChI
InChI=1/C4H4N4/c5-1-3-2-7-8-4(3)6/h2H,(H3,6,7,8)
Smiles
N#Cc1c(=N)[nH][nH]c1 
EINECS: 240-665-6
Product Categories: VARIOUSAMINE;Pyrazole series;Heterocycles;Imidazoles, Pyrroles, Pyrazoles, Pyrrolidines;BUILDING BLOCKS;Amines;Nitriles;(intermediate of zaleplon);Nucleotides and Nucleosides;Anilines, Amides & Amines;Miscellaneous Compounds;Intermediates of Zaleplon;Heterocyclic;Nucleotide

Hazard Codes: Xn,T
Risk Statements: 20/21/22-20/21-36/37/38
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed. 
R20/21:Harmful by inhalation and in contact with skin. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 22-24/25-23-36-26
S22:Do not breathe dust. 
S24/25:Avoid contact with skin and eyes. 
S23:Do not breathe vapour. 
S36:Wear suitable protective clothing. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: 3439
WGK Germany: 3
F: 10
HazardClass: 6.1
PackingGroup: III
HS Code: 29331990

  3-Amino-4-pyrazolecarbonitrile , with CAS number of 16617-46-2, can be called 1H-pyrazole-4-carbonitrile, 3-amino- ; 5-Amino-1H-pyrazole-4-carbonitrile ; 3-Amino-1H-pyrazole-4-carbonitrile . It is a crystalline solid and be a useful synthetic intermediate.