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2-Bromofluorobenzene

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2-Bromofluorobenzene

EINECS 214-018-3
CAS No. 1072-85-1 Density 1.593 g/cm3
Solubility insoluble in water Melting Point -8°C
Formula C6H4BrF Boiling Point 151.5 °C at 760 mmHg
Molecular Weight 175.01 Flash Point 50.2 °C
Transport Information UN 1993 3/PG 3 Appearance clear colourless to light yellow liquid
Safety 26-36-37/39-16 Risk Codes 10-36/37/38-22-20/21/22
Molecular Structure Molecular Structure of 1072-85-1 (Benzene,1-bromo-2-fluoro-) Hazard Symbols HarmfulXn
Synonyms

1-Bromo-2-fluoro-5-(trifluoromethyl)benzene;1-Bromo-2-fluorobenzene;1-Fluoro-2-bromobenzene;2-Bromo-1-fluorobenzene;2-Bromophenyl fluoride;2-Fluorobromobenzene;2-Fluorophenyl bromide;NSC59696;o-Bromofluorobenzene;o-Fluorobromobenzene;

 

2-Bromofluorobenzene Consensus Reports

Reported in EPA TSCA Inventory.

2-Bromofluorobenzene Specification

The 1-Fluoro-2-bromobenzene, with the CAS registry number 1072-85-1 and EINECS registry number 214-018-3, is also called 2-Bromofluorobenzene. It is a kind of clear colourless to light yellow liquid, and belongs to the following product categories: Aromatic Hydrocarbons (substituted) & Derivatives; Fluorobenzene; Bromine Compounds; Fluorine Compounds; Aryl; C6; Halogenated Hydrocarbons. And the molecular formula of this chemical is C6H4BrF. What's more, it is used as the intermediate of medicine, pesticide and liquid crystal.

The physical properties of 1-Fluoro-2-bromobenzene are as following: (1)ACD/LogP: 2.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.95; (4)ACD/LogD (pH 7.4): 2.95; (5)ACD/BCF (pH 5.5): 103.65; (6)ACD/BCF (pH 7.4): 103.65; (7)ACD/KOC (pH 5.5): 964.64; (8)ACD/KOC (pH 7.4): 964.64; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: Å2; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 33.93 cm3; (15)Molar Volume: 109.8 cm3; (16)Polarizability: 13.45×10-24cm3; (17)Surface Tension: 33.8 dyne/cm; (18)Density: 1.593 g/cm3; (19)Flash Point: 50.2 °C; (20)Enthalpy of Vaporization: 37.23 kJ/mol; (21)Boiling Point: 151.5 °C at 760 mmHg; (22)Vapour Pressure: 4.67 mmHg at 25°C.

Uses of 1-Fluoro-2-bromobenzene: It can react with cyclopenta-1,3-diene to produce 1,4-dihydro-1,4-methano-naphthalene. This reaction will need reagent Mg, and solvent diethyl ether. The reaction time is 3 hours with the temperature of 20°C, and the yield is about 66%.

1-Fluoro-2-bromobenzene can react with cyclopenta-1,3-diene to produce 1,4-dihydro-1,4-methano-naphthalene

You should be cautious while dealing with this chemical. It is a kind of flammale chemical which irritates eyes, respiratory system and skin, and also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Keep away from sources of ignition - No smoking.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccccc1Br
(2)InChI: InChI=1/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H
(3)InChIKey: IPWBFGUBXWMIPR-UHFFFAOYAA

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