3-chloroadamantanecarboxylic acid

Modify Date: 2025-08-23 19:22:19

3-chloroadamantanecarboxylic acid Structure
3-chloroadamantanecarboxylic acid structure
Common Name 3-chloroadamantanecarboxylic acid
CAS Number 34859-74-0 Molecular Weight 214.689
Density 1.3±0.1 g/cm3 Boiling Point 343.2±15.0 °C at 760 mmHg
Molecular Formula C11H15ClO2 Melting Point 136 °C
MSDS N/A Flash Point 161.4±20.4 °C

 Names

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

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 343.2±15.0 °C at 760 mmHg
Melting Point 136 °C
Molecular Formula C11H15ClO2
Molecular Weight 214.689
Flash Point 161.4±20.4 °C
Exact Mass 214.076050
PSA 37.30000
LogP 2.36
Vapour Pressure 0.0±1.6 mmHg at 25°C
Index of Refraction 1.571
InChIKey GMOBHRQSNDDZAD-UHFFFAOYSA-N
SMILES O=C(O)C12CC3CC(CC(Cl)(C3)C1)C2

 MSDS

Name: 3-Chloroadamantane-1-carboxylic acid 97% Material Safety Data Sheet
Synonym:
CAS: 34859-74-0
Section 1 - Chemical Product MSDS Name:3-Chloroadamantane-1-carboxylic acid 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
34859-74-0 3-Chloroadamantane-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# 34859-74-0: 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: 136 - 140 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: C11H15ClO2
Molecular Weight: 215

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

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 34859-74-0: AU4452700 LD50/LC50:
Not available.
Carcinogenicity:
3-Chloroadamantane-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# 34859-74-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 34859-74-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 34859-74-0 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 :
AU4452700
CHEMICAL NAME :
3-Adamantanecarboxylic acid, 1-chloro-
CAS REGISTRY NUMBER :
34859-74-0
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H15-Cl-O2
MOLECULAR WEIGHT :
214.71
WISWESSER LINE NOTATION :
L 66 B6/B-H/DI A B- C 1B ITJ AVQ CG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1500 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

Hazard Codes Xi
Risk Phrases R36/37/38
Safety Phrases S26-S36/37/39
HS Code 2916209090

 Synthetic Route

~83%

3-chloroadamantanecarboxylic acid Structure

3-chloroadamant...

CAS#:34859-74-0

Literature: Khusnutdinov; Shchadneva; Baiguzina; Lavrent'eva; Burangulova; Dzhemilev Petroleum Chemistry, 2004 , vol. 44, # 2 p. 126 - 133

~58%

3-chloroadamantanecarboxylic acid Structure

3-chloroadamant...

CAS#:34859-74-0

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

~12%

3-chloroadamantanecarboxylic acid Structure

3-chloroadamant...

CAS#:34859-74-0

Literature: Journal of Organic Chemistry USSR (English Translation), , vol. 16, # 7 p. 1231 - 1232 Zhurnal Organicheskoi Khimii, , vol. 16, # 7 p. 1433 - 1435

~%

3-chloroadamantanecarboxylic acid Structure

3-chloroadamant...

CAS#:34859-74-0

Literature: Chemische Berichte, , vol. 95, p. 667 - 672

~%

3-chloroadamantanecarboxylic acid Structure

3-chloroadamant...

CAS#:34859-74-0

Literature: Chemische Berichte, , vol. 95, p. 667 - 672

 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

3-chloroadamantyl-1-carboxylic acid
Tricyclo[3.3.1.1]decane-1-carboxylic acid, 3-chloro-, (5R,7S)-
3-chloroadamantanecarboxylic acid
3-chloro-1-adamantanecarboxylic acid
3-Chlor-adamantan-carbonsaeure-(1)
1-Chloro-3-adamantanecarboxylic acid
3-ADAMANTANECARBOXYLIC ACID,1-CHLORO
(1r,3s,5R,7S)-3-Chloro-1-adamantanecarboxylic acid
MFCD00167831
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