CAS No.34859-74-0,3-CHLOROADAMANTANE-1-CARBOXYLIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	34859-74-0
Name:	3-CHLOROADAMANTANE-1-CARBOXYLIC ACID
Article Data:	5

Formula:	C₁₁H₁₅ClO₂
Molecular Weight:	214.692
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-;
Density:	1.32 g/cm³
Melting Point:	136 °C
Boiling Point:	343.2 °C at 760 mmHg
Flash Point:	161.4 °C
Appearance:	white solid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	37.30000
LogP:	2.64880

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Chemistry

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

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.

Safety Profile

Safety Information about 3-Chloroadamantanecarboxylic acid (CAS NO.34859-74-0):
Hazard Codes: Irritant 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