3,4-Dichlorobenzaldehyde

HCID 22710

Basic information

CAS
6287-38-3
Standard SMILES
O=Cc1ccc(Cl)c(Cl)c1
InChIKey
ZWUSBSHBFFPRNE-UHFFFAOYSA-N
Molecular formula
C7H4Cl2O
Average molar mass
175.01 g/mol
Monoisotopic mass
173.9639201

Names & identifiers

Preferred name
3,4-Dichlorobenzaldehyde
IUPAC
3,4-dichlorobenzaldehyde
English name
3,4-Dichlorobenzaldehyde
Molecular formula
C7H4Cl2O
Molecular weight
175.01

Names & synonyms

3,4-DICHLOROBENZALDEHYDE6287-38-3Benzaldehyde, 3,4-dichloro-CCRIS 6015DTXSID0024971NSC 8763EINECS 228-520-5UNII-I6Z632WSJ5I6Z632WSJ5NSC-8763DTXCID704971M,P-DICHLOROBENZALDEHYDE
Show more names
3,4-dichloro-benzaldehyd3,4-DCADAKOS BBS-00000836Ixazomib Impurity 14OTAVA-BB BB7018801961LABOTEST-BB LT009323843,4-Dichlorobenzaldehyde,95%
DICHLOROBENZALDEHYDE, 3,4-3,4-DICHLOROBENZENECARBOXALDEHYDERefChem:91020228-520-5InChI=1/C7H4Cl2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4ZWUSBSHBFFPRNE-UHFFFAOYSA-NMFCD00003351CHEMBL1528012

Database identifiers

CAS
6287-38-3
PubChem CID
22710
DTXSID
DTXSID0024971
ChEMBL
CHEMBL1528012
UNII
I6Z632WSJ5
EC Number
228-520-5
Nikkaji
J30.721A

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
10

Experimental & physicochemical properties

Solubilityless than 1 mg/mL at 72.5 °F (NTP, 1992)
Flash Pointgreater than 235 °F (NTP, 1992)
Boiling Point477 to 478 °F at 760 mmHg (NTP, 1992)
Melting Point106 to 111 °F (NTP, 1992)
Physical Description3,4-dichlorobenzaldehyde appears as white crystalline solid or chunky powder. (NTP, 1992)

Physicochemical properties

Melting point
39 · 39-42 °C (lit.)
Boiling point
247 · 247-248 °C (lit.)
Density
1.3456 · 1.3456 (rough estimate)
refractive index
1.5756 · 1.5756 (estimate)
Flash point
230 °F · >230 °F
storage temp.
2 · 2-8°C

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H314 (94.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H318 (75.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 53 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 2 items

Chemical: Benzaldehyde, 3,4-dichloro-

Benzaldehyde, 3,4-dichloro-: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelCorrosive
Fire HazardsThis chemical is probably combustible. (NTP, 1992)
Health Hazards · 1 item

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)

Reactive GroupAldehydes;Hydrocarbons, Aromatic;Aryl Halides
Reactivity Profile3,4-DICHLOROBENZALDEHYDE is incompatible with strong oxidizers and strong bases. It may also be incompatible with iron. (NTP, 1992)

Safety & protection

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 item

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)

Nonfire Spill Response · 1 item

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)

Isolation and Evacuation · 1 item

Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:;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 the immediate precautionary measure distance, in the downwind direction, as necessary.;FIRE: If tank, rail tank car or highway tank 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, 2024)

Personal Protective Equipment (PPE) · 1 item

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)

Regulatory information

Regulatory Information · 2 items

Chemical: Benzaldehyde, 3,4-dichloro-

Benzaldehyde, 3,4-dichloro-: Does not have an individual approval but may be used under an appropriate group standard

Safety data

F
9-23
PPE
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk
3
tsca
TSCA listed
ridadr
UN 1759 8/PG 2
hs_code
29130000

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzaldehyde, 3,4-dichloro-: ACTIVE

Applications

Uses3,4-Dichlorobenzaldehyde was used to design and prepare chalcone derivatives as potential antitumor agents, anti-inflammatory and cancer chemopreventive agents.

General DescriptionWhite crystalline solid or chunky powder.

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]

Related reactions

236 records

Compound notes

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