IUPAC Name: 4-Amino-2-chloropyrimidine-5-carbonitrile
Synonyms of 4-Amino-2-chloro-5-pyrimidinecarbonitrile (CAS NO.94741-69-2): 5-Pyrimidinecarbonitrile,4-amino-2-chloro- ; 4-Amino-2-chloropyrimidine-5-carbonitrile
CAS NO: 94741-69-2
Molecular Formula: C₅H₃ClN₄
Molecular Weight: 154.56
Molecular Structure:
H bond acceptors: 4
H bond donors: 2
Freely Rotating Bonds: 0
Polar Surface Area: 52.81 Å²
Index of Refraction: 1.621
Molar Refractivity: 35.36 cm³
Molar Volume: 100.4 cm³
Surface Tension: 89.6 dyne/cm
Density: 1.53 g/cm³
Flash Point: 216.9 °C
Enthalpy of Vaporization: 69.13 kJ/mol
Boiling Point: 435 °C at 760 mmHg
Vapour Pressure: 9.03E-08 mmHg at 25°C
Melting Point: 200 °C (dec.)(lit.)
SMILES: Clc1nc(N)c(C#N)cn1
InChI: InChI=1/C5H3ClN4/c6-5-9-2-3(1-7)4(8)10-5/h2H,(H2,8,9,10)
InChIKey: WDHFCSOENXEMRC-UHFFFAOYAN
Std. InChI: InChI=1S/C5H3ClN4/c6-5-9-2-3(1-7)4(8)10-5/h2H,(H2,8,9,10)
Std. InChIKey: WDHFCSOENXEMRC-UHFFFAOYSA-N
Product Categories of 4-Amino-2-chloro-5-pyrimidinecarbonitrile (CAS NO.94741-69-2): Pyrimidine;Heterocyclic Compounds;Building Blocks;Halogenated Heterocycles;Heterocyclic Building Blocks;Pyrimidines;PyrimidinesHeterocyclic Building Blocks

Hazard Codes: Xn
Risk Statements: 22-37/38-41-43
R22: 4-Amino-2-chloro-5-pyrimidinecarbonitrile (CAS NO.94741-69-2) is harmful if swallowed. 
R37/38: Irritating to respiratory system and skin. 
R41: Risk of serious damage to the eyes. 
R43: May cause sensitization by skin contact.
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.
RIDADR: UN3439
WGK Germany: 3
Hazard Note: Harmful
HazardClass: 6.1
PackingGroup: III