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| CAS No.: | 21816-08-0 |
|---|---|
| Name: | 3-Bromoadamantane-1-carboxylic acid |
| Molecular Structure: | |
|
|
|
| Formula: | C11H15BrO2 |
| Molecular Weight: | 259.143 |
| Synonyms: | 1-Adamantanecarboxylicacid, 3-bromo- (7CI,8CI);1-Bromo-3-carboxyadamantane;1-Bromoadamantane-3-carboxylic acid;3-Bromo-1-adamantanecarboxylic acid;3-Bromo-1-carboxyadamantane; |
| Density: | 1.665 g/cm3 |
| Melting Point: | 147 °C |
| Boiling Point: | 354.2 °C at 760 mmHg |
| Flash Point: | 168 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39-37/39 |
| PSA: | 37.30000 |
| LogP: | 2.80490 |
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Chemistry
Molecular structure of 3-Bromoadamantane-1-carboxylic acid (CAS NO.21816-08-0) is:
Product Name: 3-Bromoadamantane-1-carboxylic acid
CAS Registry Number: 21816-08-0
IUPAC Name: 3-bromoadamantane-1-carboxylic acid
Molecular Weight: 259.1396 [g/mol]
Molecular Formula: C11H15BrO2
XLogP3-AA: 2.4
H-Bond Donor: 1
H-Bond Acceptor: 2
Melting Point: 147 °C
Surface Tension: 67.3 dyne/cm
Density: 1.665 g/cm3
Flash Point: 168 °C
Enthalpy of Vaporization: 65.84 kJ/mol
Boiling Point: 354.2 °C at 760 mmHg
Vapour Pressure: 5.69E-06 mmHg at 25°C
Product Categories: Adamantane derivatives;C11 to C12;Carbonyl Compounds;Carboxylic Acids
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD | intraperitoneal | > 600mg/kg (600mg/kg) | Pharmaceutical Chemistry Journal Vol. 8, Pg. 396, 1974. | |
| mouse | LD50 | unreported | 600mg/kg (600mg/kg) | BEHAVIORAL: ANTICONVULSANT | Russian Pharmacology and Toxicology Vol. 43, Pg. 73, 1980. |
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S37/39:Wear suitable gloves and eye/face protection.
RTECS: AU4452500
Hazard Note: Irritant
Specification
3-Bromoadamantane-1-carboxylic acid , its cas register number is 21816-08-0. It also can be called 1-Bromo-3-adamantanecarboxylic acid ; 3-Adamantanecarboxylic acid, 1-bromo- ; Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxylic acid, 3-bromo-(9CI) .