ChemicalBook--->CAS DataBase List--->387-45-1

387-45-1

387-45-1 Structure

387-45-1 Structure
IdentificationMore
[Name]

2-Chloro-6-fluorobenzaldehyde
[CAS]

387-45-1
[Synonyms]

2-CHLORO-6-FLUOROBENZALDEHYDE
2-FLUORO-6-CHLORO BENZALDEHYDE
AKOS BBS-00003159
LABOTEST-BB LT00942032
OTAVA-BB BB7018801953
2-chloro-6-fluoro-benzaldehyd
2-Choro-6-Fluoro Benzaldehyde
2-Chloro-6-fluorobenzaldehyde,min.96%
2-CHLORO-6-FLUOROBENZALDEHYDE,99%
2-Chloro-6-fluorobenzaldehyde97%
2-Chlor-6-fluorbenzaldehyd
4-Chloro-6-fluorobenzaldehyde
Benzaldehyde, 2-chloro-6-fluoro-
2-Chloro-6-fluorobenzaldehyde, min. 96%
[EINECS(EC#)]

206-860-5
[Molecular Formula]

C7H4ClFO
[MDL Number]

MFCD00003306
[Molecular Weight]

158.56
[MOL File]

387-45-1.mol
Chemical PropertiesBack Directory
[Appearance]

whitetoyellowcrystallinesoli
[Melting point ]

32-35 °C(lit.)
[Boiling point ]

92 °C (10 mmHg)
[density ]

1.3310 (estimate)
[Fp ]

215 °F
[storage temp. ]

Refrigerator
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly)
[form ]

Crystalline Solid
[color ]

White to yellow
[Water Solubility ]

Insoluble
[Sensitive ]

Air Sensitive
[BRN ]

2245530
[InChI]

InChI=1S/C7H4ClFO/c8-6-2-1-3-7(9)5(6)4-10/h1-4H
[InChIKey]

OACPOWYLLGHGCR-UHFFFAOYSA-N
[SMILES]

C(=O)C1=C(F)C=CC=C1Cl
[CAS DataBase Reference]

387-45-1(CAS DataBase Reference)
[EPA Substance Registry System]

387-45-1(EPA Substance)
Safety DataBack 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 .
S37/39:Wear suitable gloves and eye/face protection .
S36:Wear suitable protective clothing .
[WGK Germany ]

1
[Hazard Note ]

Irritant
[TSCA ]

T
[HazardClass ]

IRRITANT
[HS Code ]

29130000
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
Raw materials And Preparation ProductsBack Directory
[Raw materials]

2-Chloro-6-fluorotoluene-->2-Chloro-6-fluorobenzyl alcohol-->1-Chloro-3-fluorobenzene-->2-CHLORO-6-FLUOROBENZALDOXIME-->2,6-Dichlorobenzaldehyde-->Anilinoacetic acid-->TEMPO-->Cupric bromide-->Sodium carbonate
[Preparation Products]

Flucloxacillin sodium-->2-CHLORO-6-FLUOROCINNAMIC ACID-->4-CHLORO (1H)INDAZOLE-->2-CHLORO-6-METHYLBENZALDEHYDE-->4-CHLORO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER-->2-(2-CHLORO-6-FLUOROBENZYL)MALONONITRILE-->AKOS B018294-->1-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-2-propen-1-one-->(2E)-3-(2-chloro-6-fluorophenyl)-1-(3,4-dichlorophenyl)prop-2-en-1-one-->2-chloro-6-(pyrrolidin-1-yl)benzaldehyde-->4-(6-CHLORO-2-FLUOROPHENYL)-1H-1,2,3-TRIAZOLE-5-CARBONITRILE
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Chloro-6-fluorobenzaldehyde(387-45-1).msds
Hazard InformationBack Directory
[Chemical Properties]

whitetoyellowcrystallinesoli
[Uses]

2-Chloro-6-fluorobenzaldehyde was used in the synthesis of novel copolymers of methyl 2-cyano-3-dihalophenyl-2-propenoates and styrene.
[General Description]

2-Chloro-6-fluorobenzaldehyde undergoes piperidine catalyzed Knoevenagel condensation reaction with methyl cyanoacetate to yield methyl 2-cyano-3-dihalophenyl-2-propenoate.
[Synthesis]

2-Chloro-6-fluorobenzyl alcohol

56456-50-9

2-Chloro-6-fluorobenzaldehyde

387-45-1

GENERAL METHOD: A mixture of 2-chloro-6-fluorobenzyl alcohol (1.0 mmol), N-phenylglycine (0.0076 g, 0.05 mmol), CuBr2 (0.0112 g, 0.05 mmol), Na2CO3 (0.1060 g, 1.0 mmol), and TEMPO (0.0078 g, 0.05 mmol) was added to a 100 mL Schlenk tube with H2O (3.0 mL) was added to a 100 mL Schlenk tube. It was stirred vigorously for 0.5 h under reflux conditions in air. After completion of the reaction, the product was extracted with CH2Cl2 (3 x 2.0 mL). The organic phases were combined, washed with H2O (3.0 mL) and dried with anhydrous MgSO4. After vacuum concentration, the residue was purified by column chromatography to give 2-chloro-6-fluorobenzaldehyde. Isolated yield: 0.1080 g (90%).

[References]

[1] Synthetic Communications, 2008, vol. 38, # 15, p. 2638 - 2645
[2] Journal of the American Chemical Society, 2011, vol. 133, # 42, p. 16901 - 16910
[3] RSC Advances, 2014, vol. 4, # 90, p. 48777 - 48782
[4] Journal of Organic Chemistry, 2015, vol. 80, # 21, p. 11184 - 11188
[5] Synlett, 2015, vol. 26, # 6, p. 779 - 784
Spectrum DetailBack Directory
[Spectrum Detail]

2-Chloro-6-fluorobenzaldehyde(387-45-1)MS
2-Chloro-6-fluorobenzaldehyde(387-45-1)1HNMR
2-Chloro-6-fluorobenzaldehyde(387-45-1)IR1
2-Chloro-6-fluorobenzaldehyde(387-45-1)IR2
2-Chloro-6-fluorobenzaldehyde(387-45-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Chloro-6-fluorobenzaldehyde, 95%(387-45-1)
[Alfa Aesar]

2-Chloro-6-fluorobenzaldehyde, 97%(387-45-1)
[Sigma Aldrich]

387-45-1(sigmaaldrich)
[TCI AMERICA]

2-Chloro-6-fluorobenzaldehyde,>95.0%(GC)(387-45-1)
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