| Identification | More | [Name]
1-Chloro-3,4-difluorobenzene | [CAS]
696-02-6 | [Synonyms]
1-CHLORO-3,4-DIFLUOROBENZENE
3,4-DIFLUOROCHLOROBENZENE
4-CHLORO-1,2-DIFLUOROBENZENE
Benzene,4-chloro-1,2-difluoro-
1-Chloro-3,4-difluorobenzene, 97% [4-Chloro-1,2-difluorobenzene]
1-Chloro-3,4-difluorobenzene~3,4-Difluorochlorobenzene
4-BROMO-2-BENZONITRILE-4-CHLORO-1,2-DIFLUOROBENZENE
1-Chloro-3,4-difluorobenzene 98%
1-Chloro-3,4-difluorobenzene98% | [EINECS(EC#)]
614-988-1 | [Molecular Formula]
C6H3ClF2 | [MDL Number]
MFCD00042572 | [Molecular Weight]
148.54 | [MOL File]
696-02-6.mol |
| Chemical Properties | Back Directory | [Appearance]
Clear colourless to light yellow liquid | [Boiling point ]
126 °C (lit.) | [density ]
1.33 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.475(lit.)
| [Fp ]
96 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [form ]
clear liquid | [color ]
Colorless to Light yellow | [BRN ]
2081081 | [InChI]
InChI=1S/C6H3ClF2/c7-4-1-2-5(8)6(9)3-4/h1-3H | [InChIKey]
OPQMRQYYRSTBME-UHFFFAOYSA-N | [SMILES]
C1(F)=CC=C(Cl)C=C1F | [CAS DataBase Reference]
696-02-6(CAS DataBase Reference) | [NIST Chemistry Reference]
1-Chloro-3,4-difluorobenzene(696-02-6) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,F,Xi,N | [Risk Statements ]
R10:Flammable.
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S16:Keep away from sources of ignition-No smoking .
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 . | [RIDADR ]
UN 1993 3/PG 3
| [WGK Germany ]
3
| [Hazard Note ]
Flammable | [HazardClass ]
3 | [PackingGroup ]
III | [HS Code ]
29039990 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
Clear colourless to light yellow liquid | [Uses]
4-Chloro-1,2-difluorobenzene may be used in the preparation of 1-chloro-4,5-difluoro-2-nitrobenzene. | [General Description]
4-Chloro-1,2-difluorobenzene is a halogenated benzene derivative. Its proton shielding has been computed using ab initio methods. | [Synthesis]
GENERAL STEPS: In a FEP or PFA reactor equipped with a PTFE-lined magnetic stir bar and connected to a gas scrubber bottle, substituted benzene (0.95-1.10 mmol), 1,1,1,3,3-pentafluorobutane (2 mL per mL of C6H5R), and BF3-Et2O (1.3-1.5 mmol/mmol C6H5R) were added. The mixture was stirred at 0-5 °C (ice bath) for 10-15 min, followed by the addition of XeF2 (1.2-1.3 mmol/mmol C6H5R) in batches. After each addition, the mixture was stirred at 22-25 °C for 3-5 min and recooled. After all XeF2 was added, the resulting dark-colored solution was continued to be stirred at 22-25 °C for 15-30 min. Upon completion of the reaction, the reaction was quenched by the addition of 10% aqueous KHCO3, the organic layer was separated and filtered through a short column packed with silica gel (40-60 μm) and finally dried over magnesium sulfate. The resulting solution was analyzed by 19F NMR and GC/MS. The major products are listed in the table and the remaining products are as follows (with GC/MS data). | [References]
[1] Russian Journal of Organic Chemistry, 2016, vol. 52, # 10, p. 1400 - 1407
[2] Zh. Org. Khim., 2016, vol. 52, # 10, p. 1412 - 1419,8 |
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