4,5-Dichloro-2-hydroxybenzaldehyde
Basic information
- CAS
84388-68-1- Standard SMILES
O=Cc1cc(Cl)c(Cl)cc1O- InChIKey
RZVJTHXDHLQJIK-UHFFFAOYSA-N- Molecular formula
- C7H4Cl2O2
- Average molar mass
- 191.01 g/mol
- Monoisotopic mass
- 189.9588348
Names & identifiers
- Preferred name
- 4,5-Dichloro-2-hydroxybenzaldehyde
- IUPAC
- 4,5-dichloro-2-hydroxybenzaldehyde
- English name
- 4,5-Dichlorosalicylaldehyde
- Molecular formula
- C7H4Cl2O2
- Molecular weight
- 191.01
Names & synonyms
84388-68-14,5-dichloro-2-hydroxybenzaldehydeDTXSID00336013RefChem:507664DTXCID50287102826-824-84,5-Dichlorosalicylaldehyde4,5-Dichloro-2-hydroxy-benzaldehydeMFCD06739497Benzaldehyde, 4,5-dichloro-2-hydroxy-45-DichlorosalicylaldehydeSCHEMBL1922524
Show more names
4,5-dichloroaldehyde
SCHEMBL314429642-hydroxy-4,5-dichloro-benzaldehyde4,5-dichloro-2-hydroxy benzaldehydeAKOS006293647Benzaldehyde, 4,5-dichloro-2-hydroxyCS-11619DA-02464SY026583
Database identifiers
- CAS
84388-68-1- PubChem CID
- 528389
- DTXSID
DTXSID00336013- EC Number
- 826-824-8
Properties
Computed structural properties
- XLogP
- 3.1
- 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
- Boiling point
- 263.4 · 263.4±35.0 °C(Predicted)
- Density
- 1.547 · 1.547±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 6.78 · 6.78±0.23(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H315-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302-H315-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Suppliers
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Related reactions
1 records
Compound notes
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