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| CAS No.: | 460-08-2 |
|---|---|
| Name: | 2-FLUOROETHYLAMINE HYDROCHLORIDE |
| Molecular Structure: | |
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| Formula: | C2H7ClFN |
| Molecular Weight: | 99.5357 |
| Synonyms: | Ethylamine,2-fluoro-, hydrochloride (7CI,8CI);2-Fluoroethylamine hydrochloride;b-Fluoroethylamine hydrochloride;2-Fluoroethylammonium chloride; |
| EINECS: | 207-302-3 |
| Density: | 0.892g/cm3 |
| Melting Point: | 99-103 °C(lit.) |
| Boiling Point: | 52.1 °C at 760 mmHg |
| Flash Point: | 20.7 °C |
| Solubility: | Soluble in water |
| Hazard Symbols: |
 Xi
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| PSA: | 26.02000 |
| LogP: | 1.41690 |
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Specification
The IUPAC name of this chemical is 2-fluoroethanamine hydrochloride. With the CAS registry number 460-08-2 and EINECS 207-302-3, it is also named as Ethanamine, 2-fluoro-, hydrochloride (9CI). The product's categories are Amine Salts; Nitrogen Compounds; Organic Building Blocks.
The other characteristics of 2-Fluoroethylamine hydrochloride can be summarized as: (1)ACD/LogP: -0.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.26; (4)ACD/LogD (pH 7.4): -0.72; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 7.32; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Enthalpy of Vaporization: 29.53 kJ/mol; (14)Vapour Pressure: 269 mmHg at 25°C; (15)Rotatable Bond Count: 1; (16)Exact Mass: 99.025105; (17)MonoIsotopic Mass: 99.025105; (18)Topological Polar Surface Area: 26; (19)Heavy Atom Count: 5; (20)Complexity: 10.
Uses of 2-Fluoroethylamine hydrochloride: It can react with 2-fluoro-ethyl isocyanate to get N,N'-bis(2-fluoroethyl)-urea. This reaction needs reagents water, triethyl amine and solvent dioxane at temperature of 0-20 °C. The reaction time is 1 hours. The yield is 65%.
People can use the following data to convert to the molecule structure.
1. SMILES:Cl.FCCN
2. InChI:InChI=1/C2H6FN.ClH/c3-1-2-4;/h1-2,4H2;1H
3. InChIKey:YRRZGBOZBIVMJT-UHFFFAOYAG
The following are the toxicity data which has been tested.
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 10370ug/kg (10.37mg/kg) | National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986, |