Products Categories
CAS No.: | 17768-34-2 | ||||||
---|---|---|---|---|---|---|---|
Name: | 3-Bromo-1-adamantaneacetic acid | ||||||
Article Data: | 5 | ||||||
Molecular Structure: | |||||||
Formula: | C12H17 Br O2 | ||||||
Molecular Weight: | 273.17 | ||||||
Synonyms: | 1-Adamantaneaceticacid, 3-bromo- (8CI); (3-Bromo-1-adamantyl)acetic acid;3-Bromo-1-adamantaneacetic acid | ||||||
Density: | 1.556g/cm3 | ||||||
Melting Point: | 194-200 °C | ||||||
Boiling Point: | 373.3°Cat760mmHg | ||||||
Flash Point: | 179.6°C | ||||||
Hazard Symbols: | |||||||
Risk Codes: | 36 | ||||||
Safety: |
|
||||||
PSA: | 37.30000 | ||||||
LogP: | 3.19500 |
What can I do for you?
Get Best Price
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
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.