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| CAS No.: | 371-62-0 |
|---|---|
| Name: | 2-Fluoroethanol |
| Molecular Structure: | |
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|
|
| Formula: | C2H5FO |
| Molecular Weight: | 64.0595 |
| Synonyms: | 1-Fluoroethan-2-ol;Ethylene fluorohydrin;Flutritex 2;NSC 158283;b-Fluoroethanol; |
| EINECS: | 206-740-2 |
| Density: | 0.993 g/cm3 |
| Melting Point: | -26.5 °C(lit.) |
| Boiling Point: | 103.5 °C at 760 mmHg |
| Flash Point: | 31.1 °C |
| Appearance: | Colorless Liquid |
| Hazard Symbols: |
 F;  T+
|
| Risk Codes: | 10-26/27/28 |
| Safety: | 36/37/39-45 |
| Transport Information: | UN 3383 6.1/PG 1 |
| PSA: | 20.23000 |
| LogP: | -0.05180 |
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Specification
The IUPAC name of this chemical is 2-Fluoroethanol. With the CAS registry number 371-62-0 and EINECS registry number 206-740-2, it is also named as ethanol,2-fluoro-. In addition, the molecular formula is C2H5FO and the molecular weight is 64.06. It belongs to the classes of Pharmaceutical Intermediates; Alcohols; C2 to C6; Oxygen Compounds. And it should be stored in brown glass bottles, then put in a cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP: -0.47; (2)ACD/LogD (pH 5.5): -0.47; (3)ACD/LogD (pH 7.4): -0.47; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 13.22; (7)ACD/KOC (pH 7.4): 13.22; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.325; (13)Molar Refractivity: 13.01 cm3; (14)Molar Volume: 64.5 cm3; (15)Polarizability: 5.15 ×10-24cm3; (16)Surface Tension: 20.9 dyne/cm; (17)Density: 0.993 g/cm3; (18)Flash Point: 31.1 °C; (19)Enthalpy of Vaporization: 39.94 kJ/mol; (20)Boiling Point: 103.5 °C at 760 mmHg; (21)Vapour Pressure: 17.8 mmHg at 25°C.
Preparation of 2-Fluoroethanol: it can be prepared by 2-fluoroethyl fluorosulfite. This reaction will need reagent 15percent KOH and solvent H2O. The reaction time is 2 hours. The yield is about 90%.
Uses of 2-Fluoroethanol: it is used as pesticides and medicine intermediates. And it can react with 3,4-dihydro-2H-pyran to get 2-(2'-fluoroethoxy)tetrahydropyran. This reaction will need reagent conc.HCl. The reaction time is 3 hours. The yield is about 52%.
When you are using this chemical, please be cautious about it as the following:
This chemical is flammable. And it is very toxic by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: FCCO
(2)InChI: InChI=1/C2H5FO/c3-1-2-4/h4H,1-2H2
(3)InChIKey: GGDYAKVUZMZKRV-UHFFFAOYAT
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| cat | LC50 | inhalation | 35mg/m3/10M (35mg/m3) | BEHAVIORAL: COMA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | National Technical Information Service. Vol. PB158-508, |
| dog | LC50 | inhalation | 7mg/m3/10M (7mg/m3) | BEHAVIORAL: COMA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | National Technical Information Service. Vol. PB158-508, |
| guinea pig | LC50 | inhalation | 150mg/m3/10M (150mg/m3) | National Technical Information Service. Vol. PB158-508, | |
| monkey | LC50 | inhalation | 1500mg/m3/10M (1500mg/m3) | BEHAVIORAL: COMA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | National Technical Information Service. Vol. PB158-508, |
| mouse | LC50 | inhalation | 1100mg/m3/10M (1100mg/m3) | Journal of the Chemical Society. Vol. -, Pg. 773, 1949. | |
| mouse | LD50 | intraperitoneal | 10mg/kg (10mg/kg) | Journal of Organic Chemistry. Vol. 21, Pg. 739, 1956. | |
| mouse | LD50 | subcutaneous | 15mg/kg (15mg/kg) | Nature. Vol. 172, Pg. 1139, 1953. | |
| rabbit | LC50 | inhalation | 25mg/m3/10M (25mg/m3) | BEHAVIORAL: COMA GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | National Technical Information Service. Vol. PB158-508, |
| rabbit | LDLo | intravenous | 250ug/kg (0.25mg/kg) | Journal of the Chemical Society. Vol. -, Pg. 1279, 1949. | |
| rat | LC50 | inhalation | 200mg/m3/10M (200mg/m3) | National Technical Information Service. Vol. PB158-508, | |
| rat | LD50 | intraperitoneal | 1750ug/kg (1.75mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Journal of Pharmacy and Pharmacology. Vol. 20, Pg. 465, 1968. |
| rat | LD50 | oral | 5mg/kg (5mg/kg) | "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 515, 1986. |