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Cas Database |
| Name |
3-Bromo-1-adamantaneacetic acid |
EINECS | N/A | ||||||
| CAS No. | 17768-34-2 | Density | 1.556g/cm3 | ||||||
| PSA | 37.30000 | LogP | 3.19500 | ||||||
| Solubility | N/A | Melting Point |
194-200 °C |
||||||
| Formula | C12H17 Br O2 | Boiling Point | 373.3°Cat760mmHg | ||||||
| Molecular Weight | 273.17 | Flash Point | 179.6°C | ||||||
| Transport Information | N/A | Appearance | N/A | ||||||
| Safety |
|
Risk Codes | 36 | ||||||
| Molecular Structure |
|
Hazard Symbols |
|
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| Synonyms |
1-Adamantaneaceticacid, 3-bromo- (8CI); (3-Bromo-1-adamantyl)acetic acid;3-Bromo-1-adamantaneacetic acid |
Article Data | 5 |
3-Bromo-1-adamantaneacetic acid Chemical Properties
Molecular Structure of 3-Bromo-1-adamantaneacetic acid (CAS No. 17768-34-2):
IUPAC Name: 2-[(5S,7R)-3-Bromo-1-adamantyl]acetate
Molecular Formula: C12H17BrO2
Molecular Weight 273.17
CAS Registry Number 17768-34-2
Melting Point: 194-200 °C
Index of Refraction: 1.608
Molar Refractivity: 60.7 cm3
Molar Volume: 175.5 cm3
Surface Tension: 58.6 dyne/cm
Density: 1.556 g/cm3
Flash Point: 179.6 °C
Enthalpy of Vaporization: 68.14 kJ/mol
Boiling Point: 373.3 °C at 760 mmHg
Vapour Pressure: 1.34E-06 mmHg at 25°C
Structure Descriptors of 3-Bromo-1-adamantaneacetic acid (CAS No. 17768-34-2):
SMILES: O=C(O)CC12CC3CC(Br)(C1)CC(C2)C3
InChI: InChI=1/C12H17BrO2/c13-12-4-8-1-9(5-12)3-11(2-8,7-12)6-10(14)15/h8-9H,1-7H2,(H,14,15)
InChIKey: HFGLWCBEPPFDDJ-UHFFFAOYAT
Std. InChI: InChI=1S/C12H17BrO2/c13-12-4-8-1-9(5-12)3-11(2-8,7-12)6-10(14)15/h8-9H,1-7H2,(H,14,15)
Std. InChIKey: HFGLWCBEPPFDDJ-UHFFFAOYSA-N
3-Bromo-1-adamantaneacetic acid Safety Profile
Safety Information of 3-Bromo-1-adamantaneacetic acid (CAS No. 17768-34-2):
Hazard Codes: Xi 
Xi
Risk Statements: 36
R36:Irritating to eyes.
Safety Statements: 26
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
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