2,6-Dichlorobenzaldehyde
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Basic information
- CAS
83-38-5- Standard SMILES
O=Cc1c(Cl)cccc1Cl- InChIKey
DMIYKWPEFRFTPY-UHFFFAOYSA-N- Molecular formula
- C7H4Cl2O
- Average molar mass
- 175.01 g/mol
- Monoisotopic mass
- 173.9639201
Overview
Yellowish flakes or fine off-white powder. Pungent odor. (NTP, 1992)
Names & identifiers
- Preferred name
- 2,6-Dichlorobenzaldehyde
- IUPAC
- 2,6-dichlorobenzaldehyde
- English name
- 2,6-Dichlorobenzaldehyde
- Molecular formula
- C7H4Cl2O
- Molecular weight
- 175.01
Names & synonyms
2,6-DICHLOROBENZALDEHYDE83-38-5Benzaldehyde, 2,6-dichloro-MFCD000033072,6-dichloro benzaldehydeDTXSID5024970Benzaldehyde,6-dichloro-2,6-dichloro-benzaldehyde(2,6-dichlorophenyl)methanoneO,O'-DICHLOROBENZALDEHYDENSC-7193781ADM5611
Show more names
AURORA 14017AKOS BBS-000031702,6-DichlorobenzaldeLABOTEST-BB LT014609026-Dichlorobenzaldehyde2,6-Dichloobenzaldehyde2,6-Dichlor-Benzaldehyd2,6-dichloro-benzaldehyd
o,o'-Dichlorobenzaldehyde; NSC 7193;CCRIS 6014NSC 7193EINECS 201-472-2UNII-781ADM5611NSC71932,6dichloro-benzaldehyde2,6-dichloro -benzaldehyde
Database identifiers
- CAS
83-38-5- PubChem CID
- 6737
- DTXSID
DTXSID5024970- ChEMBL
CHEMBL1442731- UNII
- 781ADM5611
- EC Number
- 201-472-2
- Nikkaji
- J60.295G
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- 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
- 117
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Benzaldehydes
Solubilityless than 1 mg/mL at 73 °F (NTP, 1992)
Flash Point275 °F (NTP, 1992)
Boiling Point329 °F at 760 mmHg (NTP, 1992)
Melting Point158 to 160 °F (NTP, 1992)
Physical Description
Yellowish flakes or fine off-white powder. Pungent odor. (NTP, 1992)
Yellowish or off-white solid with a pungent odor; [CAMEO] Off-white hygroscopic powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 69 · 69-71 °C (lit.)
- Boiling point
- 165 °C · 165°C
- Density
- 1.3456 · 1.3456 (rough estimate)
- refractive index
- 1.5756 · 1.5756 (estimate)
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 (94.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 5 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzaldehyde, 2,6-dichloro-
REACH registered substance: 2,6-dichlorobenzaldehyde (EC: 201-472-2)
2,6-Dichlorobenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelCorrosive
Fire HazardsThis chemical is combustible. (NTP, 1992)
Health Hazards
SYMPTOMS: Symptoms of exposure to this compound are eye, skin and upper respiratory tract irritation. Other symptoms of exposure may include a burning sensation, destruction of the mucous membranes, upper respiratory tract, eyes, and skin; coughing, wheezing, laryngitis, shortness of breath, headache, nausea and vomiting. Inhalation may be fatal as a result of spasm, inflammation of the larynx and bronchi, chemical pneumonitis and pulmonary edema.
Hazards SummarySensitive to air, moisture, and light; Causes burns; Inhalation may cause chemical pneumonitis and pulmonary edema; [NTP] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS]
Reactive GroupAldehydes
Chemistry & industry
Uses & manufacturing
UsesUsed to make pharmaceuticals, dyes, and other organic chemicals; [NTP]
General Manufacturing InformationBenzaldehyde, 2,6-dichloro-: ACTIVE
Applications
UsesAn intermediate in the synthesis of substituted (2,6-dichlorobenzylideneamino)guanidines and some hydrazone derivatives of C-cyanoformamidrazone. It showed antihypertensive activity.
General DescriptionYellowish flakes or fine off-white powder. Pungent odor.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
146 records
Compound notes
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