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1073-06-9

Basic Information
CAS No.: 1073-06-9
Name: 3-Bromofluorobenzene
Article Data: 23
Molecular Structure:
Molecular Structure of 1073-06-9 (3-Bromofluorobenzene)
Formula: C6H4BrF
Molecular Weight: 175
Synonyms: 1-Bromo-3-fluorobenzene;1-Fluoro-3-bromobenzene;3-Bromo-1-fluorobenzene;3-Fluoro-1-bromobenzene;3-Fluorobromobenzene;3-Fluorophenyl bromide;NSC10267;m-Bromofluorobenzene;m-Fluorobromobenzene;
EINECS: 214-023-0
Density: 1.593 g/cm3
Melting Point: -8 °C
Boiling Point: 150 °C at 760 mmHg
Flash Point: 38.9 °C
Solubility: insoluble in water
Appearance: clear colourless tolight yellow liquid
Hazard Symbols: IrritantXi
Risk Codes: 10-22-36/38-36/37/38-20/21/22
Safety: 26-36-37/39-16
Transport Information: UN 1993 3/PG 3
PSA: 0.00000
LogP: 2.58820
Synthetic route
1430342-19-0

(3-fluorophenyl)(mesityl)iodonium trifluoromethanesulfonate

1073-06-9

3-fluorobromobenzene

Conditions
ConditionsYield
With copper(I) bromide In acetonitrile at 80℃; for 2h;91%

2-fluoro-4-bromoaniline sulfate

1073-06-9

3-fluorobromobenzene

Conditions
ConditionsYield
With copper(I) oxide; sulfuric acid; sodium nitrite In water; isopropyl alcohol at -10 - 0℃; for 5h; Temperature; Reagent/catalyst; Solvent;82.7%
400-31-7

1,1,1-trifluoro-4-methyl-pent-3-en-2-one

2-bromo-4-fluoro-1-iodobenzene

A

124445-98-3

2,2′-dibromo-4,4′-difluorobiphenyl

B

1073-06-9

3-fluorobromobenzene

C

1198785-52-2

4-(2-bromo-4-fluorophenyl)-1,1,1-trifluoro-4-methylpentan-2-one

D

1429053-26-8

2-(2-bromo-4-fluorophenyl)-1,1,1-trifluoro-4-methylpent-3-en-2-ol

E

496-69-5

2-bromo-4-fluoro-phenol

Conditions
ConditionsYield
Stage #1: 2-bromo-4-fluoro-1-iodobenzene With isopropylmagnesium chloride In tetrahydrofuran at -30 - -25℃; for 0.5h; Inert atmosphere; Large scale;
Stage #2: 1,1,1-trifluoro-4-methyl-pent-3-en-2-one With copper(l) iodide In tetrahydrofuran at -30 - -25℃; for 4h; Inert atmosphere; Large scale;
A 0.5%
B 16%
C 75%
D 5%
E 0.5%
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
ConditionsYield
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 %;
625-98-9

3-chlorofluorobenzene

1073-06-9

3-fluorobromobenzene

Conditions
ConditionsYield
With bromobenzene; Cu-HZSM-5 zeolite at 399.9℃; Mechanism; various catalysts;14.3 % Chromat.
75-15-0

carbon disulfide

462-06-6

fluorobenzene

7726-95-6

bromine

aluminium

aluminium

A

1072-85-1

o-fluorobromobenzene

B

1073-06-9

3-fluorobromobenzene

C

460-00-4

1-Bromo-4-fluorobenzene

Conditions
ConditionsYield
at 55℃; Product distribution;
56-23-5

tetrachloromethane

462-06-6

fluorobenzene

iodo monobromide

iodo monobromide

A

1072-85-1

o-fluorobromobenzene

B

1073-06-9

3-fluorobromobenzene

C

352-34-1

4-fluoro-1-iodobenzene

D

460-00-4

1-Bromo-4-fluorobenzene

Conditions
ConditionsYield
Product distribution;
462-06-6

fluorobenzene

A

1072-85-1

o-fluorobromobenzene

B

1073-06-9

3-fluorobromobenzene

C

460-00-4

1-Bromo-4-fluorobenzene

D

HBr

HBr

Conditions
ConditionsYield
With bromine at 25℃; for 16h; Irradiation; Yield given;
3-bromo-benzenediazonium-(1)-tetrafluoroborate

3-bromo-benzenediazonium-(1)-tetrafluoroborate

1073-06-9

3-fluorobromobenzene

462-06-6

fluorobenzene

A

1073-06-9

3-fluorobromobenzene

B

2-fluoro-1-bromo-benzene; 4-fluoro-1-bromo-benzene

2-fluoro-1-bromo-benzene; 4-fluoro-1-bromo-benzene

Conditions
ConditionsYield
With bromine at 400 - 700℃;
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Chemistry

IUPAC Name: 1-bromo-3-fluorobenzene 
Empirical Formula: C6H4BrF
Molecular Weight: 174.9984g/mol
EINECS: 214-023-0 
Structure of Benzene,1-bromo-3-fluoro- (CAS NO.1073-06-9):

Index of Refraction: 1.53
Molar Refractivity: 33.93 cm3
Molar Volume: 109.8 cm3
Polarizability: 13.45×10-24cm3
Surface Tension: 33.8 dyne/cm
Density: 1.593 g/cm3
Flash Point: 38.9 °C
Enthalpy of Vaporization: 37.09 kJ/mol 
Melting Point: -8°C
Boiling Point: 150 °C at 760 mmHg
Vapour Pressure: 4.99 mmHg at 25°C 
storage temp: Flammables area
Water Solubility: insoluble 
Product Categories: Aromatic Hydrocarbons (substituted) & Derivatives;Benzene series;Fluorobenzene;Bromine Compounds;Fluorine Compounds;Fluorobenzene Series;Aryl;C6;Halogenated Hydrocarbons 
Canonical SMILES: C1=CC(=CC(=C1)Br)F
InChI: InChI=1S/C6H4BrF/c7-5-2-1-3-6(8)4-5/h1-4H
InChIKey: QDFKKJYEIFBEFC-UHFFFAOYSA-N

Uses

 Intermediates of Liquid Crystals.

Toxicity Data With Reference

1.    

skn-rbt 500 mg/24H MOD

    28ZPAK    Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,32.
2.    

eye-rbt 20 mg/24H MOD

    28ZPAK    Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,32.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

A skin and eye irritant. When heated to decomposition it emits very toxic fumes of F and Br.
The Hazard Codes of Benzene,1-bromo-3-fluoro- (1073-06-9): HarmfulXn,IrritantXi, FlammableF
Hazard Note: Flammable/Irritant
HazardClass: 3
The Risk Statements information of Benzene,1-bromo-3-fluoro- (1073-06-9):
10:  Flammable 
22:  Harmful if swallowed 
20/21/22:  Harmful by inhalation, in contact with skin and if swallowed 
36/37/38:  Irritating to eyes, respiratory system and skin 
36/38:  Irritating to eyes and skin 
The Safety Statements information of Benzene,1-bromo-3-fluoro- (1073-06-9):
16:  Keep away from sources of ignition - No smoking 
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
36:  Wear suitable protective clothing 
37/39:  Wear suitable gloves and eye/face protection 
RIDADR: UN 1993 3/PG 3
WGK Germany: 2
RTECS: DA1225000
PackingGroup: III
HS Code: 29036990

Specification

  Benzene,1-bromo-3-fluoro- , its cas register number is 1073-06-9. It also can be called 1-Bromo-3-fluorobenzene ; 1-Fluoro-3-bromobenzene ; 3-Bromfluorbenzen ; 3-Bromofluorobenzene ; m-Bromofluorobenzene ; m-Fluorobromobenzene ;
 m-Fluorophenyl bromide . Benzene,1-bromo-3-fluoro- (CAS NO.1073-06-9) is a clear colourless tolight yellow liquid.