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2-Chloro-6-fluorobenzaldehyde

2-Chloro-6-fluorobenzaldehyde structure

CAS No:
387-45-1
Formula:
C7H4ClFO
Chemical Name:
2-Chloro-6-fluorobenzaldehyde
Synonyms:
Benzaldehyde,2-chloro-6-fluoro-;2-Chloro-6-fluorobenzaldehyde;2-Fluoro-6-chlorobenzaldehyde;6-Chloro-2-fluorobenzaldehyde
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

whitetoyellowcrystallinesoli

2-Chloro-6-fluorobenzaldehyde Basic Attributes

Molecular Weight：

158.556

Exact Mass：

158.56

EC Number：

206-860-5

UNII：

51YJ9BW8W7

DSSTox ID：

DTXSID4022028

HScode：

2913000090

Characteristics

PSA：

17.1

XLogP3：

2.1

Appearance：

white to yellow solid

Density：

1.4±0.1 g/cm3

Melting Point：

38.5 °C

Boiling Point：

104-105 °C

Flash Point：

101.7±0.0 °C

Refractive Index：

1.560

Water Solubility：

Insoluble

Storage Conditions：

Refrigerator

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S37/39

Marks：

Xi:Irritant

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

2-Chloro-6-fluorobenzaldehyde Use and Manufacturing

Methods of Manufacturing

General procedure: A mixture of p-methylbenzyl 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), TEMPO (0.0078 g, 0.05 mmol), H2O (3.0 mL) were added to a 100 mL Schlenk tube, which wasvigorously stirred in air under reflux for 0.5 h. After the reaction, the product was extracted with CH2Cl2 (3 × 2.0 mL). Thecombined organic phase was washed with H2O (3.0 mL) anddried over anhydrous MgSO4. After concentration undervacuum, the residue was purified by column chromatography toafford p-methylbenzaldehyde.Isolated yield: 0.1080 g (90percent).

Manufacturing Info：

Benzaldehyde, 2-chloro-6-fluoro-: ACTIVE

Computed Properties

Molecular Weight:158.56
XLogP3:2.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:157.9934706
Monoisotopic Mass:157.9934706
Topological Polar Surface Area:17.1
Heavy Atom Count:10
Complexity:129
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Chloro-6-fluorobenzaldehyde

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Learn More Other Chemicals

2-Chloro-6-fluorobenzaldehyde

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