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Cas Database |
| Name |
3-Bromofluorobenzene |
EINECS | 214-023-0 |
| CAS No. | 1073-06-9 | Density | 1.593 g/cm3 |
| PSA | 0.00000 | LogP | 2.58820 |
| Solubility | insoluble in water | Melting Point |
-8 °C |
| Formula | C6H4BrF | Boiling Point | 150 °C at 760 mmHg |
| Molecular Weight | 175 | Flash Point | 38.9 °C |
| Transport Information | UN 1993 3/PG 3 | Appearance | clear colourless tolight yellow liquid |
| Safety | 26-36-37/39-16 | Risk Codes | 10-22-36/38-36/37/38-20/21/22 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| 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; |
Article Data | 23 |
3-Bromofluorobenzene Synthetic route
- 1430342-19-0
(3-fluorophenyl)(mesityl)iodonium trifluoromethanesulfonate
- 1073-06-9
3-fluorobromobenzene
| Conditions | Yield |
|---|---|
| With copper(I) bromide In acetonitrile at 80℃; for 2h; | 91% |
- 1073-06-9
3-fluorobromobenzene
| Conditions | Yield |
|---|---|
| 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
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 | Yield |
|---|---|
| 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 | 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 %; |
| Conditions | Yield |
|---|---|
| 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
A
- 1072-85-1
o-fluorobromobenzene
B
- 1073-06-9
3-fluorobromobenzene
C
- 460-00-4
1-Bromo-4-fluorobenzene
| Conditions | Yield |
|---|---|
| at 55℃; Product distribution; |
- 56-23-5
tetrachloromethane
- 462-06-6
fluorobenzene
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 | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| With bromine at 25℃; for 16h; Irradiation; Yield given; |
- 1073-06-9
3-fluorobromobenzene
| Conditions | Yield |
|---|---|
| With bromine at 400 - 700℃; |
3-Bromofluorobenzene Chemical Properties
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
3-Bromofluorobenzene Uses
Intermediates of Liquid Crystals.
3-Bromofluorobenzene 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. |
3-Bromofluorobenzene Consensus Reports
Reported in EPA TSCA Inventory.
3-Bromofluorobenzene 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): 
Xn,
Xi, 
F
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
3-Bromofluorobenzene 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.
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