Benzaldehyde, 2,4-difluoro-6-hydroxy- (9CI)
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Benzaldehyde, 2,4-difluoro-6-hydroxy- (9CI)
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CAS No:
136516-64-8
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Formula:
C7H4F2O2
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Chemical Name:
Benzaldehyde, 2,4-difluoro-6-hydroxy- (9CI)
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Synonyms:
2,4-Difluoro-6-hydroxybenzaldehyde;Benzaldehyde, 2,4-difluoro-6-hydroxy-;Benzaldehyde, 2,4-difluoro-6-hydroxy- (9CI);2,4-difluoro-6-hydroxy-benzaldehyde;PubChem17440;ACMC-1BWQO;SCHEMBL3967319;CTK0G9912;DTXSID70626372;4,6-DIFLUOROSALICYLALDEHYDE
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CAS No:
Benzaldehyde, 2,4-difluoro-6-hydroxy- (9CI) Basic Attributes
158.1022664
158.017929
1533716-785-6
DTXSID70626372
2913000090
Characteristics
37.3
1.8
1.464±0.06 g/cm3(Predicted)
32℃
207.6±35.0 °C(Predicted)
79.4±25.9 °C
1.559
Safety Information
Xi
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P312, P322, P330, P337+P313, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Benzaldehyde, 2,4-difluoro-6-hydroxy- (9CI) Use and Manufacturing
Step A: 3, 5-Difluorophenol (2.6 g, 20 mmol) was dissolved in CHStep A: To a solution of Description 6 (11.2 g, 77.8 mmol) in anhydrous dichloromethane (500 ml) cooled at-78°C was added boron tribromide (9.47 ml; 85.58 mmol) dropwise over 10 minutes. After complete addition the mixture was allowed to warm to room temperature and stirred overnight. The mixture was poured onto ICE/WATER (1 1) and extracted with DCM (3 x 400 ml). The combined organic layers were washed with water (1 1), saturated NACL (500 ml), dried over NA2SO4, filtered and evaporated. The residue was purified by column chromatography on silica elution with 10percent diethyl ether/isohexanes to give the title compound (9.2 g, 75percent) as an orange oil.
Computed Properties
Molecular Weight:158.10
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:158.01793569
Monoisotopic Mass:158.01793569
Topological Polar Surface Area:37.3
Heavy Atom Count:11
Complexity:151
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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