2-Chloro-3,6-difluorobenzaldehyde
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2-Chloro-3,6-difluorobenzaldehyde
structure -
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CAS No:
261762-39-4
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Formula:
C7H3ClF2O
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Chemical Name:
2-Chloro-3,6-difluorobenzaldehyde
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Synonyms:
Benzaldehyde,2-chloro-3,6-difluoro-;2-Chloro-3,6-difluorobenzaldehyde
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CAS No:
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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2-Chloro-3,6-difluorobenzaldehyde
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