3-Bromo-1-adamantanecarboxylic acid

Names

[ Name ]:
3-Bromo-1-adamantanecarboxylic acid

[Synonym ]:
tricyclo[3.3.1.1~3,7~]decane-1-carboxylic acid,3-bromo
Tricyclo[3.3.1.1]decane-1-carboxylic acid, 3-bromo-
3-Bromadamantan-1-carbonsaeure
Tricyclo[3.3.1.1]decane-1-carboxylic acid, 3-bromo-, (5R,7S)-
3-Bromoadamantane-1-carboxylic acid
3-Bromoadamantane-1-carboxylicacid
1-bromo-3-adamantanecarboxylicacid
MFCD00167820
1-bromo-3-adamantanecarboxylicaci
acide bromo-3 adamantylcarboxylique
(1r,3s,5R,7S)-3-Bromo-1-adamantanecarboxylic acid
3-bromo-1-carboxyadamantane
3-bromoadamantan-1-carboxylic acid
3-Bromadamantancarbonsaeure
3-Bromo-1-Amantane Carboxylic Acid
3-Bromo-1-adamantanecarboxylic acid
3-Bromo-adamantane-1-carboxylic acid
IFLAB-BB F0035-0448
3-Bromo-1-Adamantane Carboxylic Acid
3-Bromo-1-adamantane-carboxylic acid
1-Bromo-3-Adamantane Carboxylic Acid
3-bromo-adamantane-1-carboxylicacid

Chemical & Physical Properties

[ Density]:
1.7±0.1 g/cm3

[ Boiling Point ]:
354.2±25.0 °C at 760 mmHg

[ Melting Point ]:
147-148ºC

[ Molecular Formula ]:
C₁₁H₁₅BrO₂

[ Molecular Weight ]:
259.140

[ Flash Point ]:
168.0±23.2 °C

[ Exact Mass ]:
258.025543

[ PSA ]:
37.30000

[ LogP ]:
2.61

[ Vapour Pressure ]:
0.0±1.7 mmHg at 25°C

[ Index of Refraction ]:
1.638

[ Storage condition ]:
2-8°C

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AU4452500

CHEMICAL NAME :: 3-Adamantanecarboxylic acid, 1-bromo-

CAS REGISTRY NUMBER :: 21816-08-0

LAST UPDATED :: 199612

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C11-H15-Br-O2

MOLECULAR WEIGHT :: 259.17

WISWESSER LINE NOTATION :: L 66 B6/B-H/DI A B- C 1B ITJ AVQ CE

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >600 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 8,396,1974

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 600 mg/kg

TOXIC EFFECTS :: Behavioral - anticonvulsant

REFERENCE :: RPTOAN Russian Pharmacology and Toxicology (English Translation). Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey, UK) V.30- 1967- Volume(issue)/page/year: 43,73,1980

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S37/39

[ RIDADR ]:
NONH for all modes of transport

[ RTECS ]:
AU4452500

[ HS Code ]:
2916209090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2916209090

[ Summary ]:
2916209090 other cyclanic, cyclenic or cyclotherpenic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%