CAS 21816-08-0|3-Bromo-1-adamantanecarboxylic acid

Introduction：Basic information about CAS 21816-08-0|3-Bromo-1-adamantanecarboxylic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Synonyms

Common Name	3-Bromo-1-adamantanecarboxylic acid
CAS Number	21816-08-0	Molecular Weight	259.140
Density	1.7±0.1 g/cm3	Boiling Point	354.2±25.0 °C at 760 mmHg
Molecular Formula	C₁₁H₁₅BrO₂	Melting Point	147-148ºC
MSDS	ChineseUSA	Flash Point	168.0±23.2 °C
Symbol	GHS07	Signal Word	Warning

Names

Name	3-Bromoadamantane-1-carboxylic acid
Synonym	More Synonyms

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
InChIKey	DJUDQBVINJIMFO-UHFFFAOYSA-N
SMILES	O=C(O)C12CC3CC(CC(Br)(C3)C1)C2
Storage condition	2-8°C

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

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%

Synonyms

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

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