Basic information
- CAS
78443-72-8- Standard SMILES
O=Cc1c(O)cc(Cl)cc1Cl- InChIKey
XFYKHXQQNRESHU-UHFFFAOYSA-N- Molecular formula
- C7H4Cl2O2
- Average molar mass
- 191.01 g/mol
- Monoisotopic mass
- 189.95883473
Names & identifiers
- Preferred name
- 2,4-Dichloro-6-hydroxybenzaldehyde
- IUPAC
- 2,4-dichloro-6-hydroxybenzaldehyde
- English name
- 2,4-DICHLORO-6-HYDROXYBENZALDEHYDE
- Molecular formula
- C7H4Cl2O2
- Molecular weight
- 191.01
Names & synonyms
2,4-dichloro-6-hydroxybenzaldehyde78443-72-8DTXSID60336014RefChem:1059713DTXCID102871034,6-dichlorosalicylaldehyde4,6-dichloro-2-hydroxybenzaldehydeMFCD000165902,4-Dichloro-6-hydroxy-benzaldehydePDJXC2-44AKOS006344438Benzaldehyde, 4,6-dichloro-2-hydroxy
Show more names
4,6-Dichlorosalicylaldehyde,98%4,6-Dichlorosalicylaldehyde 98%2-Hydroxy-4,6-dichlorobenzaldehydeBenzaldehyde, 2,4-dichloro-6-hydroxy-
CS-W015856EN300-1770322,4-Dichloro-6-hydroxybenzaldehyde, AldrichCPRAMY28210FT-0641678SCHEMBL1067996SCHEMBL304172102,4-dichoro-6-hydroxybenzaldehyde
Database identifiers
- CAS
78443-72-8- PubChem CID
- 528390
- DTXSID
DTXSID60336014- EC Number
- 673-975-9
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 51 °C · 51 °C
- Boiling point
- 255.2 · 255.2±35.0℃ (760 Torr)
- Density
- 1.547 · 1.547±0.06 g/cm3 (20 ºC 760 Torr)
- Flash point
- 108.2 · 108.2±25.9℃
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- Sparingly Soluble (0.092 g/L) (25°C).
- form
- solid
- Appearance
- Light brown to brown Solid
- Sensitive
- Air Sensitive
- InChI
- 1S/C7H4Cl2O2/c8-4-1-6(9)5(3-10)7(11)2-4/h1-3,11H
- InChIKey
- XFYKHXQQNRESHU-UHFFFAOYSA-N
- SMILES
- Oc1cc(Cl)cc(Cl)c1C=O
- CAS DataBase Reference
- 78443 · 78443-72-8(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- WGK Germany
- 3 · WGK 3
- HazardClass
- IRRITANT, AIR SENSITIVE
- HS Code
- 2912490090 · 2912490090
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- WGK 3
- hs_code
- 2912490090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT, AIR SENSITIVE
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses4,6-Dichlorosalicylaldehyde is used for synthesis of series of indazole derivatives for their antibacterial activity and interactions as inhibitor of DNA gyrase B.
Suppliers80 total
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Related reactions
33 records
Compound notes
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