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Home > Encyclopedia > 2-Chloro-3,6-difluorobenzaldehyde

2-Chloro-3,6-difluorobenzaldehyde

2-Chloro-3,6-difluorobenzaldehyde structure

2-Chloro-3,6-difluorobenzaldehyde 

structure
  • CAS No:

    261762-39-4

  • Formula:

    C7H3ClF2O

  • Chemical Name:

    2-Chloro-3,6-difluorobenzaldehyde

  • Synonyms:

    Benzaldehyde,2-chloro-3,6-difluoro-;2-Chloro-3,6-difluorobenzaldehyde

  • Categories:

    Organic Chemistry  >  Organic Fluorine Compound

2-Chloro-3,6-difluorobenzaldehyde Basic Attributes

176.55

176.55

-0

DTXSID90378508

2913000090

Characteristics

17.1

2.2

1.5±0.1 g/cm3

46-50 °C(lit.)

206.4±35.0℃ (760 Torr)

230 °F

1.536

Safety Information

IRRITANT

NONH for all modes of transport

3

36/37/38

26-36

Xi

Irritant

P261-P305 + P351 + P338

H315-H319-H335

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Chloro-3,6-difluorobenzaldehyde Use and Manufacturing

2-Chloro-l, 4-difluorobenzene (1.78 g, 12.0 mmol) was dissolved in tetrahydroiuran (50 mL) and cooled to -78 °C. Lithium diisopropyl amide (1.8 M in tetrahydroiuran, 7.3 mL, 13.2 mmol) was added. After stirring at -78 °C for 30 min, N, N-dimethylformamide (1.05 g, 14.4 mmol) was added. After stirring at - 78 °C for an additional 15 min, acetic acid (3 mL) and water (100 mL) was added and the mixture was warmed to RT. After extraction with ethyl acetate, the organic phase was washed with 1 M hydrochloride acid solution and brine, and dried over magnesium sulfate. Concentration in vacuo afforded the title compound (1.51 g, 71percent of theory). GC-MS (Method 1G): RExample 152A

Computed Properties

Molecular Weight:176.55
XLogP3:2.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:175.9840487
Monoisotopic Mass:175.9840487
Topological Polar Surface Area:17.1
Heavy Atom Count:11
Complexity:153
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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