3-Bromoadamantane-1-carboxylic acid (21816-08-0),3-Bromoadamantane-1-carboxylic acid (21816-08-0) Manufacturers & Suppliers,Synthesis,MSDS

Basic information

Name:
3-Bromoadamantane-1-carboxylic acid
CAS No.:
21816-08-0
Molecular Structure:
Formula:
C₁₁H₁₅BrO₂
Molecular Weight:
259.14
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 Description:
26-36/37/39-37/39 Details

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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;C₁₁to 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: Irritant 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) .