3-Bromo-1-adamantanecarboxylic acid

Modify Date: 2024-01-02 17:00:25

3-Bromo-1-adamantanecarboxylic acid Structure
3-Bromo-1-adamantanecarboxylic acid structure
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 Chinese USA Flash Point 168.0±23.2 °C
Symbol GHS07
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
Storage condition 2-8°C

 MSDS

Name: 3-Bromoadamantane-1-carboxylic acid 97% Material Safety Data Sheet
Synonym:
CAS: 21816-08-0
Section 1 - Chemical Product MSDS Name:3-Bromoadamantane-1-carboxylic acid 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
21816-08-0 3-Bromoadamantane-1-carboxylic acid 97% unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 21816-08-0: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 143 - 145 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C11H15BrO2
Molecular Weight: 259

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, hydrogen bromide, acrid smoke and fumes, bromine.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 21816-08-0: AU4452500 LD50/LC50:
Not available.
Carcinogenicity:
3-Bromoadamantane-1-carboxylic acid - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION


Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION

IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 21816-08-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 21816-08-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 21816-08-0 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 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
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

~95%

3-Bromo-1-adamantanecarboxylic acid Structure

3-Bromo-1-adama...

CAS#:21816-08-0

Literature: Baklan, V. F.; Khil'chevskii, A. N.; Sologub, L. S.; Kukhar, V. P. Journal of Organic Chemistry USSR (English Translation), 1992 , vol. 28, # 10 p. 1680 - 1683 Zhurnal Organicheskoi Khimii, 1992 , vol. 28, # 10 p. 2098 - 2102

~99%

3-Bromo-1-adamantanecarboxylic acid Structure

3-Bromo-1-adama...

CAS#:21816-08-0

Literature: Harman, David G.; Blanksby, Stephen J. Organic and Biomolecular Chemistry, 2007 , vol. 5, # 21 p. 3495 - 3503

~52%

3-Bromo-1-adamantanecarboxylic acid Structure

3-Bromo-1-adama...

CAS#:21816-08-0

Literature: Yurchenko, R. I.; Peresypkina, L. P.; Miroshnichenko, V. V.; Yurchenko, A. G. Russian Journal of General Chemistry, 1993 , vol. 63, # 7.1 p. 1072 - 1076 Zhurnal Obshchei Khimii, 1993 , vol. 63, # 7 p. 1534 - 1539

~89%

3-Bromo-1-adamantanecarboxylic acid Structure

3-Bromo-1-adama...

CAS#:21816-08-0

Literature: Baklan, V. F.; Khil'chevskii, A. N.; Sologub, L. S.; Kukhar, V. P. Journal of Organic Chemistry USSR (English Translation), 1992 , vol. 28, # 10 p. 1680 - 1683 Zhurnal Organicheskoi Khimii, 1992 , vol. 28, # 10 p. 2098 - 2102

 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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