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Cas Database |
| Name |
3-Chloroadamantanecarboxylic acid |
EINECS | N/A |
| CAS No. | 34859-74-0 | Density | 1.32 g/cm3 |
| PSA | 37.30000 | LogP | 2.64880 |
| Solubility | N/A | Melting Point |
136 °C |
| Formula | C11H15ClO2 | Boiling Point | 343.2 °C at 760 mmHg |
| Molecular Weight | 214.692 | Flash Point | 161.4 °C |
| Transport Information | N/A | Appearance | white solid |
| Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
1-Adamantanecarboxylicacid, 3-chloro- (7CI);1-Chloro-3-adamantanecarboxylic acid;3-Chloro-1-adamantanecarboxylic acid;Tricyclo[3.3.1.13,7]decane-1-carboxylicacid, 3-chloro-; |
Article Data | 5 |
3-Chloroadamantanecarboxylic acid Chemical Properties
IUPAC Name: 3-Chloroadamantane-1-carboxylic acid
Molecular Structure: 
Molecular Formula: C11H15ClO2
Molecular Weight: 214.69
CAS NO: 34859-74-0
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 26.3 Å2
Index of Refraction: 1.57
Molar Refractivity: 53.3 cm3
Molar Volume: 162.3 cm3
Surface Tension: 49.9 dyne/cm
Density: 1.32 g/cm3
Flash Point: 161.4 °C
Enthalpy of Vaporization: 64.51 kJ/mol
Boiling Point: 343.2 °C at 760 mmHg
Vapour Pressure: 1.29E-05 mmHg at 25°C
Melting Point: 136 °C
Product Categories of 3-Chloroadamantanecarboxylic acid (CAS NO.34859-74-0): Adamantane derivatives
Synonyms of 3-Chloroadamantanecarboxylic acid (CAS NO.34859-74-0): 3-Adamantanecarboxylic acid, 1-chloro-
SMILES: O=C(O)C13CC2CC(CC(Cl)(C1)C2)C3
InChI: InChI=1/C11H15ClO2/c12-11-4-7-1-8(5-11)3-10(2-7,6-11)9(13)14/h7-8H,1-6H2,(H,13,14)
InChIKey: GMOBHRQSNDDZAD-UHFFFAOYAT
Std. InChI: InChI=1S/C11H15ClO2/c12-11-4-7-1-8(5-11)3-10(2-7,6-11)9(13)14/h7-8H,1-6H2,(H,13,14)
Std. InChIKey: GMOBHRQSNDDZAD-UHFFFAOYSA-N
3-Chloroadamantanecarboxylic acid Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | unreported | 1500mg/kg (1500mg/kg) | BEHAVIORAL: ANTICONVULSANT | Russian Pharmacology and Toxicology Vol. 43, Pg. 73, 1980. |
3-Chloroadamantanecarboxylic acid Safety Profile
Safety Information about 3-Chloroadamantanecarboxylic acid (CAS NO.34859-74-0):
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
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.
Hazard Note: Irritant
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