| Identification | More | [Name]
2,5-Difluorobenzaldehyde | [CAS]
2646-90-4 | [Synonyms]
2,5-DIFLUOROBENZALDEHYDE
TIMTEC-BB SBB006570
2,5-Difluorobenzaldehyde 98%
2,5-Difluorobenzaldehyde98%
2,5-DIFLUOROBENZALDEHYDE 99+% | [EINECS(EC#)]
629-300-5 | [Molecular Formula]
C7H4F2O | [MDL Number]
MFCD00010327 | [Molecular Weight]
142.1 | [MOL File]
2646-90-4.mol |
| Chemical Properties | Back Directory | [Appearance]
clear light yellow liquid | [Melting point ]
67-69 °C | [Boiling point ]
67-69 °C/17 mmHg (lit.) | [density ]
1.308 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.498(lit.)
| [Fp ]
138 °F
| [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [form ]
Liquid | [color ]
Clear colorless to yellow | [Specific Gravity]
1.308 | [Sensitive ]
Air Sensitive | [BRN ]
2573664 | [InChI]
InChI=1S/C7H4F2O/c8-6-1-2-7(9)5(3-6)4-10/h1-4H | [InChIKey]
VVVOJODFBWBNBI-UHFFFAOYSA-N | [SMILES]
C(=O)C1=CC(F)=CC=C1F | [CAS DataBase Reference]
2646-90-4(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [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 .
S36/37:Wear suitable protective clothing and gloves . | [RIDADR ]
UN 1989 3/PG 3
| [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
3.2 | [PackingGroup ]
III | [HS Code ]
29130000 |
| Hazard Information | Back Directory | [Chemical Properties]
clear light yellow liquid | [Uses]
2,5-Difluorobenzaldehyde was used in the synthesis of fluorinated analog by Henry condensation with nitroethane. | [General Description]
The emission and absorption spectra of 2,5-difluorobenzaldehyde were studied. | [Synthesis]
Example 3 Synthesis of 2,5-difluorobenzaldehyde Procedure: to a stirred solution of 194.5 g (1.70 mol) of 1,4-difluorobenzene dissolved in 2 ml of anhydrous tetrahydrofuran was added dropwise 1.70 mol (2.2 M hexane solution) of n-butyllithium at -60°C, at a rate maintaining the temperature below -55°C. The reaction mixture was stirred below -50°C for 45 minutes, followed by continued stirring in the range of -50°C to -45°C for 1.5 hours. The solution was cooled to -30°C and 230 g of N-methylformanilide dissolved in 300 ml of tetrahydrofuran was added dropwise over 30 minutes. The mixture was stirred at -50°C for 1 hour, followed by a slow warming to -30°C over 15 minutes. The reaction mixture was poured into ice water and neutralized to pH 6-7 with 10% sulfuric acid solution, followed by three extractions with hexane. The combined organic phases were sequentially washed once each with 1N sulfuric acid solution and saturated sodium chloride solution and concentrated to give an oil. Purification by reduced pressure distillation (64°-65°C, 20 mm Hg) gave 187.5 g (77.5%) of 2,5-difluorobenzaldehyde. | [References]
[1] Patent: US4654336, 1987, A |
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