Basic information
- CAS
7789-90-4- Standard SMILES
O=CC(Cl)(Cl)CCl- InChIKey
VMVQOWJGWBIGEU-UHFFFAOYSA-N- Molecular formula
- C3H3Cl3O
- Average molar mass
- 161.41 g/mol
- Monoisotopic mass
- 159.924948
Names & identifiers
- Preferred name
- 2,2,3-Trichloropropionaldehyde
- IUPAC
- 2,2,3-trichloropropanal
- English name
- 2,2,3-Trichloropropanal
- Molecular weight
- 0
Names & synonyms
2,2,3-Trichloropropanal2,2,3-TRICHLOROPROPIONALDEHYDEPropionaldehyde, 2,2,3-trichloro-Propanal, 2,2,3-trichloro-7789-90-4BRN 1748695UNII-KFQ961MF6CKFQ961MF6CAI3-25036DTXSID802285083-01-00-02693 (Beilstein Handbook Reference).ALPHA.,.ALPHA.,.BETA.-TRICHLOROPROPIONALDEHYDE
Show more names
.ALPHA.,.ALPHA.,.BETA.-TRICHLOROPROPIONIC ALDEHYDERefChem:80839DTXCID60150999ALPHA,ALPHA,BETA-TRICHLOROPROPIONALDEHYDEALPHA,ALPHA,BETA-TRICHLOROPROPIONIC ALDEHYDE2,2,3-trichloro-propionaldehydeSCHEMBL833518SCHEMBL6840690
Database identifiers
- CAS
7789-90-4- PubChem CID
- 24623
- DTXSID
DTXSID80228508- UNII
- KFQ961MF6C
- Nikkaji
- J24.191A
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 70.6
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 226.05 °C · 226.05°C (rough estimate)
- Density
- 1.47 · 1.4700
- refractive index
- 1.473 · 1.4730 (estimate)
- FDA UNII
- 961 MF6C · KFQ961MF6C
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 240 mg/kg AIHAAP 23,95,62
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Propanal, 2,2,3-trichloro-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- Toxicity
- LD50 orl-rat: 240 mg/kg AIHAAP 23,95,62
Related reactions
3 records
Compound notes
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