| Identification | More | [Name]
1-Bromo-3,5-difluorobenzene | [CAS]
461-96-1 | [Synonyms]
1-BROMO-3,5-DIFLUOROBENZENE
3,5-DIFLUOROBROMOBENZENE
1-Bromo-3,5-difluorobenzene,98% [3,5-Difluorobromobenzene]
3,5-difluoro-1-bromobenzene
1-Bromo-3,5-difluorobenzene 98%
1-Bromo-3,5-difluorobenzene98%
1-Brom-3,5-difluorbenzol
3,5-DIFLUOROBROMOBENZENE A.K.A.1-BROMO-3,5-DIFLUOR
3,5-DIFLUORO BROMO BENZENE 461-96-1 | [EINECS(EC#)]
416-710-2 | [Molecular Formula]
C6H3BrF2 | [MDL Number]
MFCD00010305 | [Molecular Weight]
192.99 | [MOL File]
461-96-1.mol |
| Chemical Properties | Back Directory | [Appearance]
CLEAR COLOURLESS TO LIGHT YELLOW LIQUID | [Melting point ]
-27 °C
| [Boiling point ]
140 °C (lit.) | [density ]
1.676 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.499(lit.)
| [Fp ]
112 °F
| [storage temp. ]
Flammables area | [solubility ]
0.238g/l | [form ]
Liquid | [color ]
Clear colorless to light yellow | [Specific Gravity]
1.686 | [PH]
6.6 (0.238g/l, H2O, 20℃) | [Water Solubility ]
0.238 g/L (20 ºC) | [Usage]
Intermediates of Liquid Crystals | [BRN ]
1931520 | [InChI]
1S/C6H3BrF2/c7-4-1-5(8)3-6(9)2-4/h1-3H | [InChIKey]
JHLKSIOJYMGSMB-UHFFFAOYSA-N | [SMILES]
Fc1cc(F)cc(Br)c1 | [CAS DataBase Reference]
461-96-1(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,N,F,Xi | [Risk Statements ]
R10:Flammable.
R22:Harmful if swallowed.
R38:Irritating to the skin.
R43:May cause sensitization by skin contact.
R48/22:Harmful: danger of serious damage to health by prolonged exposure if swallowed .
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S24:Avoid contact with skin .
S36/37:Wear suitable protective clothing and gloves .
S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S16:Keep away from sources of ignition-No smoking . | [RIDADR ]
UN 1993 3/PG 3
| [WGK Germany ]
2
| [Hazard Note ]
Flammable | [HazardClass ]
3 | [PackingGroup ]
III | [HS Code ]
29039900 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Acute Tox. 4 Oral
Aquatic Acute 1
Aquatic Chronic 1
Flam. Liq. 3
Skin Irrit. 2
Skin Sens. 1
STOT RE 2 |
| Hazard Information | Back Directory | [Chemical Properties]
CLEAR COLOURLESS TO LIGHT YELLOW LIQUID | [Uses]
Intermediates of Liquid Crystals | [Synthesis Reference(s)]
Journal of Medicinal Chemistry, 30, p. 486, 1987 DOI: 10.1021/jm00386a008 | [Synthesis]
General procedure: A diazonium salt solution was prepared by dissolving 1 mole of 2-bromo-4,6-difluoroaniline hydrobromide in aqueous HCl with 1.1-1.10 moles of NaNO2 at 0°C to 5°C. The solution was then slowly warmed to 15°C, during which time the release of nitrogen was observed. To this solution, 1.5 moles of hypophosphorous acid was added at a temperature below 5°C, followed by a slow warming to 15°C, during which the release of nitrogen was observed. The reaction mixture is stirred for 1 hour, decanted and extracted with a suitable organic solvent to give 1-bromo-3,5-difluorobenzene in 75% molar yield. The target product with purity higher than 99% was obtained by distillation. This method is also applicable to the synthesis of other 1-bromo-3,5-dihalobenzenes. | [References]
[1] Patent: US5157169, 1992, A |
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