| Identification | More | [Name]
3-Bromofluorobenzene | [CAS]
1073-06-9 | [Synonyms]
1-BROMO-3-FLUOROBENZENE
3-BROMOFLUOROBENZENE
3-FLUOROBROMOBENZENE
M-BROMOFLUOROBENZENE
M-FLUOROBROMOBENZENE
1-bromo-3-fluoro-benzen
1-fluoro-3-bromo-benzen
1-Fluoro-3-bromobenzene
3-Bromfluorbenzen
Benzene, 1-fluoro-3-bromo-
m-Fluorophenyl bromide
3-Bromoflourobenzene
1-BROMO-3-FLUOROBENZENE, 99+%
1-Bromo-3-fluorobenzene, 99% [3-Bromofluorobenzene]
Benzene, 1-bromo-3-fluoro-
2-BROMO-3-FLUOROBENZENE
3-Bromofluorobenzene 99%
3-Bromofluorobenzene99%
1-Brom-3-fluorbenzol
3-bromfluorbenzene | [EINECS(EC#)]
214-023-0 | [Molecular Formula]
C6H4BrF | [MDL Number]
MFCD00000326 | [Molecular Weight]
175 | [MOL File]
1073-06-9.mol |
| Chemical Properties | Back Directory | [Appearance]
Clearcolourlesstolightyellowliqui | [Melting point ]
-8°C | [Boiling point ]
149-151 °C(lit.)
| [density ]
1.567 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.526(lit.)
| [Fp ]
102 °F
| [storage temp. ]
Flammables area | [solubility ]
0.4g/l | [form ]
Liquid | [color ]
Clear colorless to light yellow | [Specific Gravity]
1.567 | [Water Solubility ]
insoluble | [Usage]
Intermediates of Liquid Crystals | [Detection Methods]
HPLC | [BRN ]
1853969 | [Henry's Law Constant]
2.9×10-3 mol/(m3Pa) at 25℃, Ebert et al. (2023) | [InChI]
1S/C6H4BrF/c7-5-2-1-3-6(8)4-5/h1-4H | [InChIKey]
QDFKKJYEIFBEFC-UHFFFAOYSA-N | [SMILES]
Fc1cccc(Br)c1 | [CAS DataBase Reference]
1073-06-9(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzene, 1-bromo-3-fluoro-(1073-06-9) | [EPA Substance Registry System]
1073-06-9(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
  
GHS02,GHS07,GHS09 | [Signal word ]
Warning | [Hazard statements ]
H226-H302+H332-H315-H317-H411 | [Precautionary statements ]
P210-P273-P280-P301+P312-P303+P361+P353-P304+P340+P312 | [Hazard Codes ]
Xn,F,Xi | [Risk Statements ]
R10:Flammable.
R22:Harmful if swallowed.
R36/38:Irritating to eyes and skin .
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
S16:Keep away from sources of ignition-No smoking . | [RIDADR ]
UN 1993 3/PG 3
| [WGK Germany ]
2
| [RTECS ]
DA1225000
| [Hazard Note ]
Flammable/Irritant | [TSCA ]
Yes | [REACH Registrations]
Inactive | [HazardClass ]
3 | [PackingGroup ]
III | [HS Code ]
29036990 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Aquatic Chronic 2
Flam. Liq. 3
Skin Irrit. 2
Skin Sens. 1 |
| Hazard Information | Back Directory | [Chemical Properties]
Clearcolourlesstolightyellowliqui | [Uses]
Intermediates of Liquid Crystals | [Synthesis]
The general procedure for the synthesis of m-bromofluorobenzene from the compound (CAS: 1430342-19-0) is as follows: a mixture of diaryliodonium salt (0.5 mmol), methylene halide (0.75 mmol) and acetonitrile (1 mL) was added to a 10 mL reaction tube and heated at 80 °C for 2 h with vigorous stirring. After completion of the reaction (monitored by TLC or GC), the reaction mixture was cooled to room temperature and 5 mL of water was added. After stirring for 10 min, the product was extracted with ethyl acetate (3 x 10 mL). The organic layers were combined, washed with water and dried with anhydrous sodium sulfate. The solvent was evaporated under reduced pressure to give the crude product. The crude product was purified by silica gel column chromatography using petroleum ether and ethyl acetate as eluents to give purified m-bromofluorobenzene. The structure of the product was confirmed by 1H NMR and 13C NMR. | [References]
[1] Letters in Organic Chemistry, 2013, vol. 10, # 8, p. 541 - 548 |
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