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| CAS No.: | 20098-17-3 |
|---|---|
| Name: | 5-Chloro-2-adamantanone |
| Article Data: | 13 |
| Molecular Structure: | |
|
|
|
| Formula: | C10H13ClO |
| Molecular Weight: | 184.666 |
| Synonyms: | 2-Adamantanone,5-chloro- (8CI);Tricyclo[3.3.1.13,7]decanone, 5-chloro- (9CI);1-Chloro-4-adamantanone;1-Chloro-4-ketoadamantane;NSC 339495;Tricyclo[3.3.1.13,7]decan-2-one,5-chloro-; |
| EINECS: | 1806241-263-5 |
| Density: | 1.243 g/cm3 |
| Melting Point: | 200 °C |
| Boiling Point: | 289.096 °C at 760 mmHg |
| Flash Point: | 140.671 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36 |
| PSA: | 17.07000 |
| LogP: | 2.37300 |
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Chemistry
IUPAC Name: 5-Chloroadamantan-2-one
Molecular Structure: 
Molecular Formula: C10H13ClO
Molecular Weight: 184.66
CAS NO: 20098-17-3
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 0
Polar Surface Area: 17.07 Å2
Index of Refraction: 1.546
Molar Refractivity: 47.1 cm3
Molar Volume: 148.5 cm3
Surface Tension: 41.1 dyne/cm
Density: 1.24 g/cm3
Flash Point: 140.7 °C
Enthalpy of Vaporization: 52.84 kJ/mol
Boiling Point: 289.1 °C at 760 mmHg
Vapour Pressure: 0.00225 mmHg at 25°C
Melting Point: 200 °C
Product Categories 5-Chloro-2-adamantanone (CAS NO.20098-17-3): Adamantane derivatives;Adamantanes
SMILES: ClC13CC2C(=O)C(C1)CC(C2)C3
InChI: InChI=1/C10H13ClO/c11-10-3-6-1-7(4-10)9(12)8(2-6)5-10/h6-8H,1-5H2
InChIKey: JPEOUSFBWXVGFX-UHFFFAOYAD
Std. InChI: InChI=1S/C10H13ClO/c11-10-3-6-1-7(4-10)9(12)8(2-6)5-10/h6-8H,1-5H2
Std. InChIKey: JPEOUSFBWXVGFX-UHFFFAOYSA-N
Safety Profile
Safety Information about 5-Chloro-2-adamantanone (CAS NO.20098-17-3):
Hazard Codes: 
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
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36: Wear suitable protective clothing.