Basic information
- Standard SMILES
O=Cc1ccc(Cl)cc1Cl- InChIKey
YSFBEAASFUWWHU-UHFFFAOYSA-N- Molecular formula
- C7H4Cl2O
- Average molar mass
- 175.01 g/mol
- Monoisotopic mass
- 173.96392011
Overview
2,4-dichlorobenzaldehyde appears as white crystalline solid or off-white chunky solid with black specks and a pungent odor. Average shelf life 1 year in a closed container. (NTP, 1992)
Names & identifiers
- Preferred name
- 2,4-Dichlorobenzaldehyde
- IUPAC
- 2,4-dichlorobenzaldehyde
- English name
- 2,4-Dichlorobenzaldehyde
- Molecular formula
- C7H4Cl2O
- Molecular weight
- 175.01
Names & synonyms
Show more names
Database identifiers
- CAS
874-42-0- PubChem CID
- 13404
- DTXSID
DTXSID1022130- ChEMBL
CHEMBL1531235- UNII
- Z08QL2124R
- EC Number
- 212-861-1
- Nikkaji
- J30.720C
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 127
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 64 · 64-69 °C (lit.)
- Boiling point
- 233 °C · 233 °C (lit.)
- Density
- 1.3456 · 1.3456 (rough estimate)
- bulk density
- 700 kg/m3 · 700kg/m3
- refractive index
- 1.5756 · 1.5756 (estimate)
- Flash point
- 135 °C · 135 °C
- storage temp.
- 30 °C · Store below +30°C.
- form
- Crystalline Powder, Crystals and/or Chunks
- color
- Light yellow to beige
- Water Solubility
- 0.1 g/100 · <0.1 g/100 mL at 24 ºC
- Sensitive
- Air Sensitive
- BRN
- 471601 · 471601
- InChI
- 1S/C7H4Cl2O/c8-6-2-1-5(4-10)7(9)3-6/h1-4H
- InChIKey
- YSFBEAASFUWWHU-UHFFFAOYSA-N
- SMILES
- [H]C(=O)c1ccc(Cl)cc1Cl
- CAS DataBase Reference
- 874 · 874-42-0(CAS DataBase Reference)
- FDA UNII
- 8 QL2124R · Z08QL2124R
- NIST Chemistry Reference
- 2 · Benzaldehyde, 2,4-dichloro-(874-42-0)
- EPA Substance Registry System
- 2 · Benzaldehyde, 2,4-dichloro- (874-42-0)
- UNSPSC Code
- 12352114 · 12352114
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS09
- Signal word
- Danger
- Hazard statements
- 314 · H314-H411
- Precautionary statements
- 260 · P260-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- C,N,Xi
- Risk Statements
- 34 · 34-51/53-36/37/38
- Safety Statements
- 26 · 26-36/37/39-45-61-37/39
- RIDADR
- 3261 · UN 3261 8/PG 2
- WGK Germany
- 2 · 2
- Autoignition Temperature
- 440 °C · 440 °C
- Hazard Note
- Corrosive
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29130000 · 29130000
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 2 Eye · Aquatic Chronic 2Eye Dam. 1Skin Corr. 1B
- Toxicity
- 50 orally · LD50 orally in Rabbit: 3470 mg/kg
- Limited Quantities
- 1 Kg · 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (96.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 79 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzaldehyde, 2,4-dichloro-
2,4-Dichlorobenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard
Health Hazards
SYMPTOMS: Symptoms of exposure to this chemical are eye, skin and upper respiratory tract irritation. Other symptoms of exposure may include a burning sensation, shortness of breath, headache, laryngitis, nausea and vomiting. Inhalation may be fatal as a result of spasm, inflammation and edema of the larynx and bronchi, chemical pneumonitis and pulmonary edema.
Safety & protection
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.
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.
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 3261 8/PG 2
- hs_code
- 29130000
- Toxicity
- LD50 orally in Rabbit: 3470 mg/kg
- risk_code
- 34-51/53-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS09
- hazard_code
- C,N,Xi
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39-45-61-37/39
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H314-H411
- Limited Quantities
- 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Aquatic Chronic 2Eye Dam. 1Skin Corr. 1B
- Autoignition Temperature
- 440 °C
- Precautionary statements
- P260-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Applications
Uses2,4-Dichlorobenzaldehyde is used in the synthesis of platelet aggregation inhibitors. Also used in the preparation of novel Schiff bases containing quinazolinone rings.
Uses2,4-Dichlorobenzaldehyde was used in the solid-phase synthesis of a series of indole-based peptoids.
General DescriptionWhite crystalline solid or off-white chunky solid with black specks and a pungent odor. Average shelf life 1 year in a closed container.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
Related reactions
Linked notes
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