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2-Fluoroethyl bromide

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Name

2-Fluoroethyl bromide

EINECS 212-100-3
CAS No. 762-49-2 Density 1.583 g/cm3
PSA 0.00000 LogP 1.35080
Solubility N/A Melting Point 70-72 °C
Formula C2H4BrF Boiling Point 69.3 °C at 760 mmHg
Molecular Weight 126.956 Flash Point -1 °C
Transport Information UN 1992 Appearance clear colourless liquid
Safety 16-26-33-36/37/39-59-45-36/37-28 Risk Codes 11-28-36/37/38-59
Molecular Structure Molecular Structure of 762-49-2 (2-Fluoroethyl bromide) Hazard Symbols IrritantXi, DangerousN, VeryT+, FlammableF
Synonyms

1-Bromo-2-fluoroethane;1-Fluoro-2-bromoethane;2-Bromofluoroethane;NSC 172603;

Article Data 35

2-Fluoroethyl bromide Specification

The Ethane,1-bromo-2-fluoro- (6CI,7CI,8CI,9CI), with CAS registry number 762-49-2, belongs to the following product category: Halides. It has the systematic name of 1-bromo-2-fluoroethane. The main use of this chemical is for medicines intermediates. What's more, its EINECS is 212-100-3.

Physical properties of Ethane,1-bromo-2-fluoro- (6CI,7CI,8CI,9CI): (1)ACD/LogP: 1.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.21; (4)ACD/LogD (pH 7.4): 1.21; (5)ACD/BCF (pH 5.5): 4.91; (6)ACD/BCF (pH 7.4): 4.91; (7)ACD/KOC (pH 5.5): 108.78; (8)ACD/KOC (pH 7.4): 108.78; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.394; (14)Molar Refractivity: 19.21 cm3; (15)Molar Volume: 80.1 cm3; (16)Polarizability: 7.61×10-24cm3; (17)Surface Tension: 21.8 dyne/cm; (18)Enthalpy of Vaporization: 29.8 kJ/mol; (19)Vapour Pressure: 147 mmHg at 25°C.

Uses of Ethane,1-bromo-2-fluoro- (6CI,7CI,8CI,9CI): it can be used to produce N-Ethyl-N-(2-fluoroethyl)aniline. The yield is about 61 %.

When you are using this chemical, please be cautious about it as the following:
The Ethane,1-bromo-2-fluoro- (6CI,7CI,8CI,9CI) is highly flammable, so keep it away from sources of ignition. And this chemical is very toxic if swallowed. It also irritates to eyes, respiratory system and skin. It is dangerous to the ozone layer. When use it, wear suitable protective clothing, gloves and eye/face protection. After contact with skin, wash immediately with plenty of soap-suds. If contact with eyes, rinse immediately with plenty of water and seek medical advice. You should take precautionary measures against static discharges. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: BrCCF
(2)InChI: InChI=1/C2H4BrF/c3-1-2-4/h1-2H2
(3)InChIKey: JTLAIKFGRHDNQM-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C2H4BrF/c3-1-2-4/h1-2H2
(5)Std. InChIKey: JTLAIKFGRHDNQM-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 20mg/kg (20mg/kg)   National Technical Information Service. Vol. OTS0518523,
rat LCLo inhalation 11ppm/4H (11ppm) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD National Technical Information Service. Vol. OTS0556360,
rat LD50 oral 5mg/kg (5mg/kg)   National Technical Information Service. Vol. OTS0518523,

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