Molecular Structure of 4-Bromopyrazole-3-carbonitrile (CAS No.288246-16-2):

Molecular Formula: C₄H₂BrN₃  
Molecular Weight: 171.9828
CAS No: 288246-16-2
IUPAC Name: 5-[(2-methyl-5-nitroimidazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine 
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 0
Polar Surface Area: 41.61 Å²
Index of Refraction: 1.639
Molar Refractivity: 30.76 cm³
Molar Volume: 85.4 cm³
Surface Tension: 87 dyne/cm
Density: 2.01 g/cm³
Flash Point: 203.2 °C
Enthalpy of Vaporization: 66.51 kJ/mol
Boiling Point: 412.4 °C at 760 mmHg
Vapour Pressure: 5.18E-07 mmHg at 25°C
InChI: InChI=1/C₄H₂BrN₃/c5-3-2-7-8-4(3)1-6/h2H,(H,7,8)
InChIKey: ZXVFKQRZKKGVNJ-UHFFFAOYAK
Std. InChI: InChI=1S/C₄H₂BrN₃/c5-3-2-7-8-4(3)1-6/h2H,(H,7,8)
Std. InChIKey: ZXVFKQRZKKGVNJ-UHFFFAOYSA-N
Product Categories: Building Blocks;Pyrazole

Hazard Codes: Xi,Xn
Risk Statements: 20/21/22-36/37/38 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
Hazard Note: Irritant

  4-Bromopyrazole-3-carbonitrile (CAS No.288246-16-2), its synonyms are 1H-Pyrazole-3-carbonitrile, 4-bromo- ; 1H-Pyrazole-5-carbonitrile, 4-bromo- ; 4-Bromo-1H-pyrazole-5-carbonitrile .