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3,4-Dichlorobenzaldehyde

3,4-Dichlorobenzaldehyde structure

CAS No:
6287-38-3
Formula:
C7H4Cl2O
Chemical Name:
3,4-Dichlorobenzaldehyde
Synonyms:
Benzaldehyde,3,4-dichloro-;3,4-Dichlorobenzaldehyde;3,4-Dichlorobenzenecarboxaldehyde;m,p-Dichlorobenzaldehyde;NSC 8763;3,4-Dichlorobenzaldehlyde
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

white to slightly yellow low melting solid

3,4-dichlorobenzaldehyde appears as white crystalline solid or chunky powder. (NTP, 1992)

3,4-Dichlorobenzaldehyde Basic Attributes

Molecular Weight：

175.008

Exact Mass：

175.01

EC Number：

228-520-5

UNII：

I6Z632WSJ5

NSC Number：

8763

UN Number：

1759

DSSTox ID：

DTXSID0024971

HScode：

2913000090

Characteristics

PSA：

17.1

XLogP3：

2.9

Appearance：

3,4-dichlorobenzaldehyde appears as white crystalline solid or chunky powder. (NTP, 1992)

Density：

1.4±0.1 g/cm3

Melting Point：

44 °C

Boiling Point：

247.5 °C

Flash Point：

greater than 235° F (NTP, 1992)

Refractive Index：

1.601

Water Solubility：

H2O: INsoluble

Storage Conditions：

0-6ºC

Air and Water Reactions：

This material may be sensitive to prolonged exposure to air, light and moisture. Insoluble in water.

Reactive Group：

Aldehydes

Reactivity Profile：

3,4-DICHLOROBENZALDEHYDE is incompatible with strong oxidizers and strong bases. It may also be incompatible with iron. (NTP, 1992)

Safety Information

Packing level：

Ⅲ

Hazard category：

Transport codes：

1759

wgk germany：

hazard class code：

safety instructions：

S26-S27-S28-S36/37/39-S45

Marks：

C:Corrosive;Xi:Irritant;

Stability/Shelf Life：

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

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H314

Fire Hazards：

This chemical is probably combustible. (NTP, 1992)

GHS Classification：

|Danger|H314 (94.12%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 51 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Fire Fighting：

Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

Isolation and Evacuation：

Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. SPILL: Increase, in the downwind direction, as necessary, the isolation distance shown above. FIRE: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2016)

Nonfire Spill Response：

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. STORAGE PRECAUTIONS: You should protect this chemical from exposure to light. Keep the container tightly closed under an inert atmosphere, and store under refrigerated temperatures. (NTP, 1992)

Personal Protective Equipment：

MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves. RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. Splash proof safety goggles should be worn while handling this chemical. Alternatively, a full face respirator, equipped as above, may be used to provide simultaneous eye and respiratory protection. (NTP, 1992)

Drug Information

Health Hazards：

SYMPTOMS: Symptoms of exposure to this compound may include a burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea, vomiting, and corrosion of the mucous membranes, upper respiratory tract, eyes and skin. Inhalation may be fatal as a result of spasm, inflammation and edema of the larynx and bronchi, chemical pneumonitis and pulmonary edema. ACUTE/CHRONIC HAZARDS: This material is corrosive to the mucous membranes, upper respiratory tract, eyes and skin. It is harmful if ingested, inhaled or absorbed through the skin. When heated to decomposition this chemical produces toxic fumes of carbon monoxide, carbon dioxide and hydrogen chloride. (NTP, 1992)

First Aid：

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. IMMEDIATELY call a hospital or poison control center even if no symptoms (such as redness or irritation) develop. IMMEDIATELY transport the victim to a hospital for treatment after washing the affected areas. INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing. INGESTION: DO NOT INDUCE VOMITING. Corrosive chemicals will destroy the membranes of the mouth, throat, and esophagus and, in addition, have a high risk of being aspirated into the victim's lungs during vomiting which increases the medical problems. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. IMMEDIATELY transport the victim to a hospital. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. Transport the victim IMMEDIATELY to a hospital. (NTP, 1992)

3,4-Dichlorobenzaldehyde Use and Manufacturing

Methods of Manufacturing

4.3.26 General procedure: The alcohol (1 mmol) was added to a mixture of TBHP(1 mmol) and VO(ephedrine)2MNPs (50 mg) in PEG(1 mL), and then the mixture was refluxed at 80 C for thetime specified. The progress was monitored by TLC (EtOAc/n-hexane, 1/2). After completion of the reaction, the catalystwas separated from the product by an external magnet(within 5 s), and the mixture was washed with EtOAc(25 mL) and decanted. The decanted mixturewas washedwith 30percent NaOH (5 mL) and the organic layer was dried overanhydrous Na2SO4. The evaporation of EtOAc underreduced pressure gave the pure products in 85e98percent yields.General procedure: All the reactions were carefully carried out at 40°C in a 25ml flask. In a typical procedure an amount of catalyst along with HGeneral procedure: All reactions were carried out in a glass reactor (∼50 mL) withbenzyl alcohol (1 mmol) as model substrate. The optimized amountof nano catalyst (0.04 g), H2O2(30 wtpercent in water) was added tothe reaction mixture and vigorously stirred at optimized reactionconditions. The aliquots of the reaction mixture were analysedby GC.General procedure: A 30-mL Schlenk tube was evacuated and filled with OGeneral procedure: To a solution of alcohol (0.1 g) in2 mL of solvent was added the appropriate amount of GO (as indicated in Table2). The resulting mixture was irradiated in an ultrasonic bath or with an ultrasonic probe (methods A to G) for the time indicated in Table 2 prior to GC/MS analysis. The mixture was filtered through a sintered funnel and evaporated under reduced pressure. Purification was achieved by column chromatography using hexane as the eluent. The spectroscopic data of the obtained aldehydes were compared with authentic samples.16 Other products were also known compounds10–12 and were characterized by 1H NMR, mass spectrometry, and FT-IR spectroscopy.will be 6.06gCobalt acetate and 6.06 gSodium molybdate was dissolved in 200 ml3, 4-dichlorotoluene and 200 mlAcetic acid to form a mixed solution, At this time n (cobalt acetate):N (3, 4-dichlorotoluene) = 0.015: 1, 6.06 g of sodium bromide dissolved in 25percent H2O2 to form H2O2-acetic acid solution, At this point n (sodium bromide):N (3, 4-dichlorotoluene) = 0.015: 1, 3, 4-dichlorotoluene-acetic acid solution and H2O2-acetic acid solution were injected into the continuous heat transfer tubular reactor through a constant current pump at a flow rate of 5.56 ml / min and 11.11 ml / min, respectively, At this time n (H2O2): n (3, 4-dichlorotoluene) = 2: 1, Using Figure 2 microchannel reactor, Control reaction temperature 90 , Stay time 900s.Export material 0 cooling, The reaction was quenched with dichloromethane.After GC analysis, The conversion of 3, 4-dichlorotoluene was 42.2percent and the yield of 3, 4-dichlorobenzaldehyde was 29.0percent.

Manufacturing Info：

Benzaldehyde, 3,4-dichloro-: ACTIVE

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

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