1-Adamantanecarbonitrile

Molecular Structure of 1-Adamantanecarbonitrile (CAS NO.23074-42-2):

Product Name: 1-Adamantanecarbonitrile
CAS Registry Number: 23074-42-2
IUPAC Name: adamantane-1-carbonitrile
Empirical Formula: C₁₁H₁₅N
Molecular Weight: 161.2435
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 0
Index of Refraction: 1.534
Molar Refractivity: 46.73 cm³
Molar Volume: 150.1 cm³
Surface Tension: 41.7 dyne/cm
Density: 1.07 g/cm³
Flash Point: 110.9 °C
Enthalpy of Vaporization: 51.29 kJ/mol
Boiling Point: 274.5 °C at 760 mmHg
Vapour Pressure: 0.00538 mmHg at 25°C
Melting point: 193-196 °C(lit.)
InChI
InChI=1/C11H15N/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-6H2
Smiles
C1C2CC3CC(C2)(C#N)CC1C3
EINECS: 245-413-9
Product Categories: Adamantane derivatives; Adamantanes

Safty information about 1-Adamantanecarbonitrile (CAS NO.23074-42-2):
Hazard Codes: Xn,Xi
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: 36-23-26
S36:Wear suitable protective clothing. 
S23:Do not breathe vapour. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: 3276
WGK Germany: 3
HazardClass: 6.1
PackingGroup: III

 1-Adamantanecarbonitrile , with CAS number of 23074-42-2, can be called 1-Adamantyl cyanide ; 245-413-9[EINECS/ELINCS] ; Tricyclo[3.3.1.1(3,7)]decane-1-carbonitrile ; tricyclo[3.3.1.1~3,7~]decane-1-carbonitrile ; 1-Adamantane carboxylic acid nitrile ; 1-Adamantanecarbonitrile . It is a white granular powder.