3-Fluoro-2-hydroxypropyl=benzoate

Modify Date: 2025-08-25 18:17:10

3-Fluoro-2-hydroxypropyl=benzoate structure	Common Name	3-Fluoro-2-hydroxypropyl=benzoate
	CAS Number	62522-72-9	Molecular Weight	198.19100
	Density	1.21g/cm3	Boiling Point	326ºC at 760 mmHg
	Molecular Formula	C₁₀H₁₁FO₃	Melting Point	N/A
	MSDS	N/A	Flash Point	151ºC

Name	(3-fluoro-2-hydroxypropyl) benzoate
Synonym	More Synonyms

Density	1.21g/cm3
Boiling Point	326ºC at 760 mmHg
Molecular Formula	C₁₀H₁₁FO₃
Molecular Weight	198.19100
Flash Point	151ºC
Exact Mass	198.06900
PSA	46.53000
LogP	1.17380
Index of Refraction	1.509
InChIKey	JGVDQMMPENFZTL-UHFFFAOYSA-N
SMILES	O=C(OCC(O)CF)c1ccccc1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DH1320000

CHEMICAL NAME :: Benzoic acid, 3-fluoro-2-hydroxypropyl ester

CAS REGISTRY NUMBER :: 62522-72-9

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C10-H11-F-O3

MOLECULAR WEIGHT :: 198.21

WISWESSER LINE NOTATION :: F1YQ1OVR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 45 mg/kg

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

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 20,644,1977

N/A

CAS#:98760-25-9

~43%

3-fluoropropane...

CAS#:142545-49-1

3-Fluoro-2-hydr...

CAS#:62522-72-9

Literature: Landini, Dario; Albanese, Domenico; Penso, Michele Tetrahedron, 1992 , vol. 48, # 20 p. 4163 - 4170

1,2-Propanediol...

CAS#:453-16-7

Benzoyl chloride

CAS#:98-88-4

3-Fluoro-2-hydr...

CAS#:62522-72-9

Literature: Pero,R.W. et al. Journal of Medicinal Chemistry, 1977 , vol. 20, p. 644 - 647

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BENZOIC ACID,3-FLUORO-2-HYDROXYPROPYL ESTER

1-Benzoyloxy-3-fluorpropan-2-ol

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