3,3,3-Tris(p-chlorophenyl)propionyl chloride
Basic information
- CAS
2172-49-8- Standard SMILES
O=C(Cl)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1- InChIKey
FPBMIAQHNZESKZ-UHFFFAOYSA-N- Molecular formula
- C21H14Cl4O
- Average molar mass
- 424.1 g/mol
- Monoisotopic mass
- 421.979876
Names & identifiers
- Preferred name
- 3,3,3-Tris(p-chlorophenyl)propionyl chloride
- IUPAC
- 3,3,3-tris(4-chlorophenyl)propanoyl chloride
- English name
- 3,3,3-tris(p-chlorophenyl)propionyl chloride
- Molecular formula
- C21H14Cl4O
- Molecular weight
- 424.14726
Names & synonyms
2172-49-83,3,3-Tris(p-chlorophenyl)propionyl chloride3,3,3-tris(4-chlorophenyl)propanoyl chlorideDTXSID10176109FPBMIAQHNZESKZ-UHFFFAOYSA-NEINECS 218-525-0NS000269473,3,3-tris(4-chlorophenyl)propionyl chlorideBenzenepropanoyl chloride, 4-chloro-β,β-bis(4-chlorophenyl)-4-Chloro-β,β-bis(4-chlorophenyl)benzenepropionic acid chloride
Database identifiers
- CAS
2172-49-8- PubChem CID
- 75114
- DTXSID
DTXSID10176109- EC Number
- 218-525-0
- Nikkaji
- J299.138A
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 404
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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