1-Fluoro-3-adamantanecarboxylic acid

Modify Date: 2026-07-13 16:05:49

1-Fluoro-3-adamantanecarboxylic acid Structure
1-Fluoro-3-adamantanecarboxylic acid structure
 Common Name 1-Fluoro-3-adamantanecarboxylic acid
CAS Number 880-50-2 Molecular Weight 198.23400
Density 1.27g/cm3 Boiling Point 307.5ºC at 760 mmHg
Molecular Formula C11H15FO2 Melting Point N/A
MSDS N/A Flash Point 139.8ºC

 Names

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

 Chemical & Physical Properties

Density 1.27g/cm3
Boiling Point 307.5ºC at 760 mmHg
Molecular Formula C11H15FO2
Molecular Weight 198.23400
Flash Point 139.8ºC
Exact Mass 198.10600
PSA 37.30000
LogP 2.37950
Index of Refraction 1.535
InChIKey SJULXDNAWKQQEV-UHFFFAOYSA-N
SMILES O=C(O)C12CC3CC(CC(F)(C3)C1)C2

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AU4453000
CHEMICAL NAME :
3-Adamantanecarboxylic acid, 1-fluoro-
CAS REGISTRY NUMBER :
880-50-2
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H15-F-O2
MOLECULAR WEIGHT :
198.26
WISWESSER LINE NOTATION :
L 66 B6/B-H/DI A B- C 1B ITJ AVQ CF

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

HS Code 2916209090

 Synthetic Route

methyl 3-fluoroadamantane-1-carboxylate structure

methyl 3-fluoro...

CAS#:1426-93-3

~89%

1-Fluoro-3-adamantanecarboxylic acid Structure

1-Fluoro-3-adam...

CAS#:880-50-2

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Literature: Adcock, William; Kok, Gaik B. Journal of Organic Chemistry, 1987 , vol. 52, # 3 p. 356 - 364
Methyl 3-hydroxy-1-adamantanecarboxylate structure

Methyl 3-hydrox...

CAS#:68435-07-4

~%

1-Fluoro-3-adamantanecarboxylic acid Structure

1-Fluoro-3-adam...

CAS#:880-50-2

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Literature: Kolocouris, Antonios; Hansen, Raino K.; Broadhurst, R. William Journal of Medicinal Chemistry, 2004 , vol. 47, # 20 p. 4975 - 4978
Adamantane-1-carboxylic acid structure

Adamantane-1-ca...

CAS#:828-51-3

~57%

1-Fluoro-3-adamantanecarboxylic acid Structure

1-Fluoro-3-adam...

CAS#:880-50-2

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Literature: Amaoka, Yuuki; Nagatomo, Masanori; Inoue, Masayuki Organic Letters, 2013 , vol. 15, # 9 p. 2160 - 2163
3-hydroxyadamantane-1-carboxylic acid structure

3-hydroxyadaman...

CAS#:42711-75-1

~%

1-Fluoro-3-adamantanecarboxylic acid Structure

1-Fluoro-3-adam...

CAS#:880-50-2

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Literature: Anderson, Gloria L.; Burks, Winifred A.; Harruna, Issifu I. Synthetic Communications, 1988 , vol. 18, # 16-17 p. 1967 - 1974
3-Bromo-1-adamantanecarboxylic acid structure

3-Bromo-1-adama...

CAS#:21816-08-0

~%

1-Fluoro-3-adamantanecarboxylic acid Structure

1-Fluoro-3-adam...

CAS#:880-50-2

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Literature: Stetter,H.; Mayer,J. Chemische Berichte, 1962 , vol. 95, p. 667 - 672
Adamantane-1-carboxylic acid structure

Adamantane-1-ca...

CAS#:828-51-3

~%

3-hydroxyadamantane-1-carboxylic acid structure

3-hydroxyadaman...

CAS#:42711-75-1

1-Fluoro-3-adamantanecarboxylic acid Structure

1-Fluoro-3-adam...

CAS#:880-50-2

Learn More
Literature: Bolte, G.; Haas, A. Journal of Fluorine Chemistry, 1983 , vol. 23, p. 502

 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%

 1-Fluoro-3-adamantanecarboxylic acidBioassay

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Source: NIAID
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External Id: HIV Cellular Data
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 Synonyms

1-Fluoro-3-adamantanecarboxylic acid
3-ADAMANTANECARBOXYLIC ACID,1-FLUORO
3-fluoro-1-adamantane-carboxylic acid
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