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Cas Database |
| Name |
Tricyclo(3.3.1.13,7)decane-1-acetonitrile |
EINECS | N/A |
| CAS No. | 16269-13-9 | Density | 1.061g/cm3 |
| PSA | 23.79000 | LogP | 3.11648 |
| Solubility | Sparingly soluble in water. | Melting Point |
70 |
| Formula | C12H17N | Boiling Point | 295 °C at 760 mmHg |
| Molecular Weight | 175.274 | Flash Point | 137.4 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | S22; S36/37 | Risk Codes | R20/21/22 |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1-Adamantaneacetonitrile(8CI);1-(Cyanomethyl)adamantane;1-Adamantylacetonitrile; |
Article Data | 9 |
Tricyclo(3.3.1.13,7)decane-1-acetonitrile Chemical Properties
Molecular Structure of Tricyclo(3.3.1.13,7)decane-1-acetonitrile (CAS NO.16269-13-9):
.gif)
IUPAC Name: 2-(1-adamantyl)acetonitrile
Empirical Formula: C12H17N
Molecular Weight: 175.2701
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 1
Polar Surface Area: 23.79 Å2
Index of Refraction: 1.534
Molar Refractivity: 51.36 cm3
Molar Volume: 165.1 cm3
Surface Tension: 47.3 dyne/cm
Density: 1.061 g/cm3
Flash Point: 137.4 °C
Enthalpy of Vaporization: 53.46 kJ/mol
Boiling Point: 295 °C at 760 mmHg
Vapour Pressure: 0.00157 mmHg at 25°C
InChI
InChI=1/C12H17N/c13-2-1-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,1,3-8H2
Smiles
C12(CC3CC(C2)CC(C1)C3)CC#N
Product Categories: Adamantane derivatives
Tricyclo(3.3.1.13,7)decane-1-acetonitrile Safety Profile
Risk Statements: 20/21/22
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 22-36/37
S22:Do not breathe dust.
S36/37:Wear suitable protective clothing and gloves.
RIDADR: 3276
HazardClass: 6.1
PackingGroup: III
Tricyclo(3.3.1.13,7)decane-1-acetonitrile Specification
Tricyclo(3.3.1.13,7)decane-1-acetonitrile , with CAS number of 16269-13-9, can be called Adamantan-1-ylacetonitrile ; 1-adamantylacetonitrile .
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