Basic information
- CAS
68334-67-8- Standard SMILES
CC(C)OC(Cl)=C(Cl)C(Cl)=C(Cl)Cl- InChIKey
NPPXYBKPTKBFMG-UHFFFAOYSA-N- Molecular formula
- C7H7Cl5O
- Average molar mass
- 284.4 g/mol
- Monoisotopic mass
- 281.893953
Overview
found as contaminant in Mississippi River fish
Names & identifiers
- Preferred name
- 1,1,2,3,4-Pentachloro-4-(1-methylethoxy)-1,3-butadiene
- IUPAC
- 1,1,2,3,4-pentachloro-4-propan-2-yloxybuta-1,3-diene
Names & synonyms
68334-67-8DTXSID60524071,3-Butadiene, 1,1,2,3,4-pentachloro-4-(1-methylethoxy)-1,1,2,3,4-Pentachloro-4-(isopropoxy)buta-1,3-dieneTJ4YF4I9UI1-IsopropoxypentachlorobutadieneRefChem:9065711,1,2,3,4-Pentachloro-4-(1-methylethoxy)-1,3-butadieneDTXCID20309801,1,2,3,4-PCMEB269-842-61,1,2,3,4-pentachloro-4-propan-2-yloxybuta-1,3-diene
Show more names
NPPXYBKPTKBFMG-UHFFFAOYSA-NNS000365451,1,2,3,4-Pentachloro-4-[(propan-2-yl)oxy]buta-1,3-diene
Database identifiers
- CAS
68334-67-8- PubChem CID
- 50144
- DTXSID
DTXSID6052407- EC Number
- 269-842-6
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 239
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Butadiene, 1,1,2,3,4-pentachloro-4-(1-methylethoxy)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…