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17768-34-2

Basic Information
CAS No.: 17768-34-2
Name: Tricyclo[3.3.1.13,7]decane-1-aceticacid, 3-bromo-
Article Data: 5
Cas Database
Molecular Structure:
Molecular Structure of 17768-34-2 (Tricyclo[3.3.1.13,7]decane-1-aceticacid, 3-bromo-)
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
EINECS: N/A
Density: 1.556g/cm3
Melting Point: 194-200 °C
Boiling Point: 373.3°Cat760mmHg
Flash Point: 179.6°C
Solubility: N/A
Appearance: N/A
Hazard Symbols:
Risk Codes: 36
Safety:
Hazard Codes Xi
Risk Statements 36
Safety Statements 26
Transport Information: N/A
PSA: 37.30000
LogP: 3.19500
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    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:

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Chemistry

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 Profile

Safety Information of 3-Bromo-1-adamantaneacetic acid (CAS No. 17768-34-2):
Hazard Codes: Xi IrritantXi
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.