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2,5-Dichlorobenzaldehyde

2,5-Dichlorobenzaldehyde structure

CAS No:
6361-23-5
Formula:
C7H4Cl2O
Chemical Name:
2,5-Dichlorobenzaldehyde
Synonyms:
Benzaldehyde,2,5-dichloro-;2,5-Dichlorobenzaldehyde
Categories:
Chemical Reagents > Organic Reagents

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Description

white to off-white crystalline powder

2,5-Dichlorobenzaldehyde Basic Attributes

Molecular Weight：

175.01200

Exact Mass：

175.01

EC Number：

228-832-1

DSSTox ID：

DTXSID30212992

HScode：

2913000090

Characteristics

PSA：

17.07000

XLogP3：

2.9

Appearance：

white to off-white crystalline powder

Density：

1.4 g/cm3

Melting Point：

58 °C

Boiling Point：

232 °C

Flash Point：

96.6ºC

Refractive Index：

1.6

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S37/39

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Danger|H314 (15.56%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2,5-Dichlorobenzaldehyde Use and Manufacturing

Methods of Manufacturing

General procedure: Alcohol (1 mmol), water (1 mL), and CoFe2O4 MNPs (11.8mg, 5 mol percent) were added to a round-bottomed flask. The reaction mixture was stirred for the two minutes, and then oxone (0.6 mmol) was added in three portions. The reaction mixture was placed at room temperature and stirred for the specified time (Table 5). The reaction was followed by TLC (EtOAc-cyclohexane, 2:10). After the completion of the reaction, the product was extracted in dichloromethane. The solvent was evaporated under reduced pressure to give the corresponding aromatic products. Purification of the residue using plate chromatography (silica gel) provided the pure carbonyl compounds. The aliphatic products in dichloromethane was dried with anhydrous MgSO4 and detected by GC-FID.In a 50 ml three-necked flask equipped with a magnetic stirrer, a reflux condenser and a thermometer, 7.08 g (40 mmols) of 2, 5-dichlorobenzyl alcohol and 10 ml of (166 mmols) of acetic acid were charged, followed by heating to 75°C. General procedure: To a solution of alcohol (1 mmol) in dichloromethane (20 mL), ruthenium(II) complex (1 molpercent) and NMO (351 mg; 3 mmol) were added. The mixture was stirred at 27 °C for 12 h. Then the solution was concentrated and the alcohol and aldehyde/ketone were obtained by passing the solution through a short silica gel column (hexane/ethyl acetate). The extract was then analyzed by GC.6.06 g of cobalt acetate and 6.06 g of sodium molybdate were respectively dissolved in 200 ml of 2, 5-dichlorotoluene and 200 ml of acetic acid to form a mixed solution, In this case n (cobalt acetate): n (2, 5-dichlorotoluene) = 0.015: 1, 6.06g of sodium bromide was dissolved in 15percent H2O2 to form H2O2-acetic acid solution, In this case n (sodium bromide): n (2, 5-dichlorotoluene) = 0.015: 1, 2, 5-dichlorotoluene-acetic acid solution And H 2 O 2 -acetic acid solution were injected into the continuously heat-exchanging tubular reactor by a constant current pump at a flow rate of 8.33 ml / min and 16.67 ml / min, respectivelyIn this case n (H2O2): n (2, 5-dichlorotoluene) = 3: 1, Using the microchannel reactor of Figure 2, The reaction temperature was controlled at 75 and the retention time was 200s. Export material 0 cooling, The reaction was quenched with dichloromethane.After GC analysis, 2, 5-dichlorotoluene conversion was 50.0percentThe yield of 2, 5-dichlorobenzaldehyde was 32.7percent.

Uses

Used as dye intermediate

Computed Properties

Molecular Weight:175.01
XLogP3:2.9
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:173.9639201
Monoisotopic Mass:173.9639201
Topological Polar Surface Area:17.1
Heavy Atom Count:10
Complexity:127
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Benzaldehyde

Toluene

Dimethylformamide

2-Chlorobenzaldehyde

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