2,4-Dichlorobenzaldehyde
Basic information
- CAS
874-42-0- 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
2,4-DICHLOROBENZALDEHYDE874-42-0Benzaldehyde, 2,4-dichloro-CCRIS 6013DTXSID1022130NSC 8762EINECS 212-861-1UNII-Z08QL2124RAI3-16063Z08QL2124RNSC-8762DTXCID302130
Show more names
DICHLOROBENZALDEHYDE2,4-DCADAKOS BBS-000031962,4-DichlorobenzaldeMiconazole Impurity 192,4-dichloro-benzaldehyd4-DichlorobenzenaldehydeDICHLOROBENZALDEHYDE(2,4-)2,4-Dichlorobenzenaldehyde
O,P-DICHLOROBENZALDEHYDEDICHLOROBENZALDEHYDE, 2,4-2,4-DICHLOROPHENYLCARBOXALDEHYDERefChem:82375212-861-1InChI=1/C7H4Cl2O/c8-6-2-1-5(4-10)7(9)3-6/h1-4YSFBEAASFUWWHU-UHFFFAOYSA-N2,4-dichloro-benzaldehyde
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
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Density1.33 at 212 °F (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 75 °F (NTP, 1992)
Flash Point275 °F (NTP, 1992)
Boiling Point451 °F at 760 mmHg (NTP, 1992)
Melting Point156 to 163 °F (NTP, 1992)
Physical Description2,4-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)
Physicochemical properties
- Melting point
- 64 · 64-69 °C (lit.)
- Boiling point
- 233 °C · 233 °C (lit.)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
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
DOT LabelCorrosive
Fire HazardsThis compound is combustible. (NTP, 1992)
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.
Reactive GroupAldehydes
Reactivity Profile2,4-DICHLOROBENZALDEHYDE is incompatible with iron, oxygen and oxygen-containing materials. It is also incompatible with strong oxidizers and strong bases. (NTP, 1992)
Air and Water ReactionsSensitive to light. May also be sensitive to prolonged exposure to air and moisture. Insoluble in water.
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzaldehyde, 2,4-dichloro-: ACTIVE
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
Related reactions
204 records
Compound notes
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