2,5-Dichloroterephthalaldehyde
Basic information
- CAS
46052-84-0- Standard SMILES
O=Cc1cc(Cl)c(C=O)cc1Cl- InChIKey
XBCGIUJJUZHWMC-UHFFFAOYSA-N- Molecular formula
- C8H4Cl2O2
- Average molar mass
- 203.02 g/mol
- Monoisotopic mass
- 201.9588348
Names & identifiers
- Preferred name
- 2,5-Dichloroterephthalaldehyde
- IUPAC
- 2,5-dichloroterephthalaldehyde
- English name
- 2,5-Dichloroterephthalaldehyde
- Molecular formula
- C8H4Cl2O2
- Molecular weight
- 203.02
Names & synonyms
2,5-Dichloroterephthalaldehyde46052-84-0DTXSID00345988RefChem:247381DTXCID70297061XBCGIUJJUZHWMC-UHFFFAOYSA-N1,4-Benzenedicarboxaldehyde, 2,5-dichloro-2,5-dichlorobenzene-1,4-dicarbaldehydeSCHEMBL31340022,5-Dichloro-benzene-1,4-dicarbaldehydeBS-488192,5-dichloro-1,4-benzenedicarboxaldehyde
Show more names
2,5-dichloroterephthaldehyde2,5-dichloroterephthalic dicarboxaldehyde2,5-dichloroparabenzenedimethylaldehyde
YSZC493MFCD000108611,4-Benzenedicarboxaldehyde,2,5-dichloro-CS-0146278E84291F8630932,5-Dichloro-1,4-benzenedicarboxaldehyde; 2,5-Dichloro-benzene-1,4-dicarbaldehyde
Database identifiers
- CAS
46052-84-0- PubChem CID
- 608540
- DTXSID
DTXSID00345988- Nikkaji
- J89.515F
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Melting point
- 157 °C · 157 °C
- Boiling point
- 313.9 · 313.9±42.0 °C(Predicted)
- Density
- 1.485 · 1.485±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- Appearance
- White to off-white Solid
- Comptox DTXSID
- 345988 · DTXSID00345988
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- HS Code
- 2913000090 · 2913000090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2913000090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Related reactions
1 records
Compound notes
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