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Cas Database |
| Name |
1-Bromo-3,5-difluorobenzene |
EINECS | 461-96-1 |
| CAS No. | 461-96-1 | Density | 1.692 g/cm3 |
| PSA | 0.00000 | LogP | 2.72730 |
| Solubility | 0.238 g/L (20 °C) in water | Melting Point |
-27 °C |
| Formula | C6H3BrF2 | Boiling Point | 140 °C at 760 mmHg |
| Molecular Weight | 192.991 | Flash Point | 44.4 °C |
| Transport Information | UN 1993 3/PG 3 | Appearance | Clear colourless to light yellow liquid |
| Safety | 24-36/37-60-61-36-26-16 | Risk Codes | 10-22-38-43-48/22-50/53-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xn,  F,  Xi,  N
|
| Synonyms |
1-bromo-3,5-difluoro-benzene;3,5-Difluorobromobenzene;3,5-Difluoro-1-Bromobenzene;1-Bromo-3,5-Difluorobromobenzene;Benzene, 1-bromo-3,5-difluoro-;1,3-Difluoro-5-bromobenzene;3,5-Difluoro-Bromobenzene; |
Article Data | 13 |
1-Bromo-3,5-difluorobenzene Synthetic route
- 184910-37-0
(4-bromo-2,6-difluorophenyl)triethylsilane
- 461-96-1
3,5-difluorobromobenzene
| Conditions | Yield |
|---|---|
| With potassium fluoride In tetrahydrofuran; water for 2h; Heating; | 93% |
- 6303-21-5
hypophosphorous acid
- 101471-20-9
2-bromo-4,6-difluoroaniline hydrobromide
- 461-96-1
3,5-difluorobromobenzene
| Conditions | Yield |
|---|---|
| With sodium nitrite In hydrogenchloride | 75% |
| Conditions | Yield |
|---|---|
| Stage #1: 1,3-dibromo-5-fluorobenzene With TurboGrignard In tetrahydrofuran; 1,4-dioxane at 0 - 25℃; Inert atmosphere; Stage #2: With N-fluorobis(benzenesulfon)imide In dichloromethane; octadecafluorodecahydronaphthalene (cis+trans) at -78 - 20℃; Inert atmosphere; | 66% |
| Stage #1: 1,3-dibromo-5-fluorobenzene With TurboGrignard In tetrahydrofuran at 25℃; Inert atmosphere; Stage #2: With N-fluorobis(benzenesulfon)imide In dichloromethane; octadecafluorodecahydronaphthalene (cis+trans) at -78 - 25℃; Inert atmosphere; | 66 %Chromat. |
- 461-96-1
3,5-difluorobromobenzene
| Conditions | Yield |
|---|---|
| With hypophosphoric acid |
- 372-18-9
1,3-Difluorobenzene
A
- 461-96-1
3,5-difluorobromobenzene
B
- 128259-71-2
1,4 - dibromo-2,6-difluorobenzene
- 128259-73-4
1,3-Difluoro-1,2,3,4,5,6-hexabromocyclohexane
D
- 128259-72-3
2,4,5-Tribromo-1,3-difluorobenzene
| Conditions | Yield |
|---|---|
| With bromine In trichlorofluoromethane Irradiation; Further byproducts given. Yields of byproduct given; | A n/a B n/a C 2.01 g D n/a |
- 101471-20-9
2-bromo-4,6-difluoroaniline hydrobromide
- 461-96-1
3,5-difluorobromobenzene
| Conditions | Yield |
|---|---|
| With sodium hypophosphite; hydrogen bromide; sodium nitrite Yield given. Multistep reaction; | |
| With hydrogenchloride; hypophosphorous acid; sodium nitrite 1.) water, 5 deg C, 2.) water, 0 deg C, 3 h; Yield given. Multistep reaction; |
| Conditions | Yield |
|---|---|
| Substitution; Sandmeyer reaction; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 6 steps 1: 89 percent / butyllithium / hexane; tetrahydrofuran / -75 °C 2: 92 percent / sec-butyllithium; bromine / cyclohexane; tetrahydrofuran / 0.75 h 3: 82 percent / diisopropylamine; butyllithium / hexane; tetrahydrofuran / -75 °C 4: diisopropylamine; butyllithium / hexane; tetrahydrofuran / 2 h / -75 °C 5: 59 percent / butyllithium / diethyl ether; hexane / 0.25 h / -100 °C 6: 93 percent / potassium fluoride / tetrahydrofuran; H2O / 2 h / Heating View Scheme |
- 651027-02-0
1-triethylsilyl-2,6-difluorobenzene
- 461-96-1
3,5-difluorobromobenzene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 5 steps 1: 92 percent / sec-butyllithium; bromine / cyclohexane; tetrahydrofuran / 0.75 h 2: 82 percent / diisopropylamine; butyllithium / hexane; tetrahydrofuran / -75 °C 3: diisopropylamine; butyllithium / hexane; tetrahydrofuran / 2 h / -75 °C 4: 59 percent / butyllithium / diethyl ether; hexane / 0.25 h / -100 °C 5: 93 percent / potassium fluoride / tetrahydrofuran; H2O / 2 h / Heating View Scheme |
- 651027-03-1
(3-bromo-2,6-difluorophenyl)triethylsilane
- 461-96-1
3,5-difluorobromobenzene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: 82 percent / diisopropylamine; butyllithium / hexane; tetrahydrofuran / -75 °C 2: diisopropylamine; butyllithium / hexane; tetrahydrofuran / 2 h / -75 °C 3: 59 percent / butyllithium / diethyl ether; hexane / 0.25 h / -100 °C 4: 93 percent / potassium fluoride / tetrahydrofuran; H2O / 2 h / Heating View Scheme |
1-Bromo-3,5-difluorobenzene Chemical Properties
IUPAC Name: 1-bromo-3,5-difluorobenzene
Empirical Formula: C6H3BrF2
Molecular Weight: 192.9888g/mol
EINECS: 416-710-2
Structure of 1-Bromo-3,5-difluorobenzene (CAS NO.461-96-1):
Index of Refraction: 1.506
Molar Refractivity: 33.93 cm3
Molar Volume: 114 cm3
Polarizability: 13.45×10-24cm3
Surface Tension: 32.3 dyne/cm
Density: 1.692 g/cm3
Flash Point: 44.4 °C
Enthalpy of Vaporization: 36.17 kJ/mol
Melting Point: -27 °C
Boiling Point: 140 °C at 760 mmHg
Vapour Pressure: 7.81 mmHg at 25°C
storage temp: Flammables area
Water Solubility: 0.238 g/L (20 ºC)
Product Categories: Aromatic Hydrocarbons (substituted) & Derivatives;Fluorobenzene;Miscellaneous;Aryl;C6;Halogenated Hydrocarbons
Canonical SMILES: C1=C(C=C(C=C1F)Br)F
InChI: InChI=1S/C6H3BrF2/c7-4-1-5(8)3-6(9)2-4/h1-3H
InChIKey: JHLKSIOJYMGSMB-UHFFFAOYSA-N
1-Bromo-3,5-difluorobenzene Uses
The usage of 1-Bromo-3,5-difluorobenzene: Intermediates of Liquid Crystals.
1-Bromo-3,5-difluorobenzene Safety Profile
Hazard Codes: 
Xn,
Xi , 
N, 
F,
The Risk Statements information of 1-Bromo-3,5-difluorobenzene :
10: Flammable
22: Harmful if swallowed
38: Irritating to the skin
43: May cause sensitization by skin contact
36/37/38: Irritating to eyes, respiratory system and skin
48/22: Harmful: danger of serious damage to health by prolonged exposure if swallowed
50/53: Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
The Safety Statements information of 1-Bromo-3,5-difluorobenzene:
16: Keep away from sources of ignition - No smoking
24: Avoid contact with skin
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
60: This material and/or its container must be disposed of as hazardous waste
61: Avoid release to the environment. Refer to special instructions safety data sheet
36/37: Wear suitable protective clothing and gloves
RIDADR: UN 1993 3/PG 3
WGK Germany:2
Hazard Note:Flammable
1-Bromo-3,5-difluorobenzene Specification
1-Bromo-3,5-difluorobenzene , its cas register number is 461-96-1. It also can be called Benzene, 1-bromo-3,5-difluoro ; 3,5-Difluorobromobenzene . 1-Bromo-3,5-difluorobenzene (CAS NO.461-96-1) is a clear colourless to light yellow liquid.
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