CAS No.1072-85-1,2-Bromofluorobenzene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1072-85-1
Name:	2-Bromofluorobenzene
Article Data:	42

Formula:	C₆H₄BrF
Molecular Weight:	175
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;
EINECS:	214-018-3
Density:	1.593 g/cm³
Melting Point:	-8°C
Boiling Point:	151.5 °C at 760 mmHg
Flash Point:	50.2 °C
Solubility:	insoluble in water
Appearance:	clear colourless to light yellow liquid
Hazard Symbols:	Xn
Risk Codes:	10-36/37/38-22-20/21/22
Safety:	26-36-37/39-16
Transport Information:	UN 1993 3/PG 3
PSA:	0.00000
LogP:	2.58820

Synthetic route

: 615-36-1
2-bromoaniline

: 1072-85-1
o-fluorobromobenzene

Conditions

Conditions	Yield
	90%

: 1202186-81-9
(2-fluorophenyl)(mesityl)iodonium trifluoromethanesulfonate

: 1072-85-1
o-fluorobromobenzene

Conditions

Conditions	Yield
With copper(I) bromide In acetonitrile at 80℃; for 2h;	71%

: 462-06-6
fluorobenzene

A: 1072-85-1
o-fluorobromobenzene

B: 460-00-4
1-Bromo-4-fluorobenzene

Conditions

Conditions	Yield
With lead(IV) acetate; trifluoroacetic acid; potassium bromide at 25℃; for 0.5h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
With manganese triacetate; trifluoroacetic acid; potassium bromide for 72h; Product distribution; Ambient temperature; Co(CH3COO)3, 67percent aq. CF3COOH, 15 - 10 h;
With potassium nitrate; potassium bromide In water; trifluoroacetic acid at 20℃; for 10h; Product distribution; under argon;

: 462-06-6
fluorobenzene

A: 1072-85-1
o-fluorobromobenzene

B: 1435-53-6
2,4-dibromo-1-fluorobenzene

C: 3925-78-8
2,4,6-Tribromofluorobenzene

D: 359-90-0
1-Fluoro-1,2,3,4,5,6-hexabromocyclohexane

E: 460-00-4
1-Bromo-4-fluorobenzene

Conditions

Conditions	Yield
With bromine In trichlorofluoromethane for 42h; Irradiation; other compounds: o-, m-, p-difluorobenzene;

...Expand

: 462-06-6
fluorobenzene

A: 1072-85-1
o-fluorobromobenzene

B: 1435-53-6
2,4-dibromo-1-fluorobenzene

C: 359-90-0
1-Fluoro-1,2,3,4,5,6-hexabromocyclohexane

D: 460-00-4
1-Bromo-4-fluorobenzene

Conditions

Conditions	Yield
With bromine In trichlorofluoromethane for 42h; Irradiation; Yield given. Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts;

...Expand

: 108-86-1
bromobenzene

A: 1072-85-1
o-fluorobromobenzene

B: 1073-06-9
3-fluorobromobenzene

C: 460-00-4
1-Bromo-4-fluorobenzene

Conditions

Conditions	Yield
With fluorine In trichlorofluoromethane at -78℃; for 1h;	A 23 % Chromat. B 17 % Chromat. C 60 % Chromat.
With fluorine In trichlorofluoromethane at -78℃; for 1h; Rate constant; Product distribution; competitive reaction with benzene;	A 23 % Chromat. B 17 % Chromat. C 60 % Chromat.
With xenon difluoride; boron trifluoride diethyl etherate In acetonitrile at -35 - 20℃; for 2.5h; Inert atmosphere; Overall yield = 56 %;

...Expand

: (4-Bromo-3-fluoro-phenyl)-trimethyl-silane

: 1072-85-1
o-fluorobromobenzene

Conditions

Conditions	Yield
With potassium fluoride In N,N-dimethyl-formamide at 80℃; for 3h; Yield given;

: 348-51-6
1-chloro-2-fluorobenzene

: 1072-85-1
o-fluorobromobenzene

Conditions

Conditions	Yield
With bromobenzene; Cu-HZSM-5 zeolite at 399.9℃; Mechanism;	11.2 % Chromat.

2-bromo-benzenediazonium-(1)-hexafluoro phosphate: 2-bromo-benzenediazonium-(1)-hexafluoro phosphate

: 1072-85-1
o-fluorobromobenzene

2-bromo-benzenediazonium-(1)-tetrafluoroborate: 2-bromo-benzenediazonium-(1)-tetrafluoroborate

: 1072-85-1
o-fluorobromobenzene

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Consensus Reports

Reported in EPA TSCA Inventory.

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