Naphthalene, 1,2,3,5,7,8-hexachloro-
Completing data — refresh the page later to see the latest
Basic information
- CAS
103426-94-4- Standard SMILES
Clc1cc2c(Cl)cc(Cl)c(Cl)c2c(Cl)c1Cl- InChIKey
JPQLLIUTUFJWMH-UHFFFAOYSA-N- Molecular formula
- C10H2Cl6
- Average molar mass
- 334.8 g/mol
- Monoisotopic mass
- 331.828766
Names & identifiers
- Preferred name
- Naphthalene, 1,2,3,5,7,8-hexachloro-
- IUPAC
- 1,2,3,5,7,8-hexachloronaphthalene
- English name
- 1,2,3,5,7,8-HEXACHLORONAPHTHALENE
- Molecular formula
- C10H2Cl6
- Molecular weight
- 334.84
Names & synonyms
1,2,3,5,7,8-hexachloronaphthalene103426-94-4Naphthalene, 1,2,3,5,7,8-hexachloro-DTXSID90145833RefChem:365262DTXCID9068324Naphthalene, 1,2,3,5,7,8-hexachloroPCN 69SCHEMBL28744259SCHEMBL29629138SCHEMBL29857997JPQLLIUTUFJWMH-UHFFFAOYSA-N
Show more names
NS00122618
Database identifiers
- CAS
103426-94-4- PubChem CID
- 108145
- DTXSID
DTXSID90145833- Nikkaji
- J847.587C
Properties
Computed structural propertiesFilling in
- XLogP
- 6.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 260
Experimental & physicochemical properties
LogP6.87
Collision Cross Section154.5 Ų [M]+ [CCS Type: TIMS, Method: calibration with PAHs]
Physicochemical properties
- Henry's Law Constant
- 4.3 · 4.3×10-1 mol/(m3Pa) at 25℃, Odabasi and Adali (2016)
- EPA Substance Registry System
- 1 · Naphthalene, 1,2,3,5,7,8-hexachloro- (103426-94-4)
Chemistry & industry
Applications
Uses1,2,3,5,7,8-Hexachloronaphthalene is a standard for environmental testing and research. Substance for the studies on polychlorinated naphthalene bioaccumulation in human adipose tissue from new york, USA. Multi-persistent organic pollutants analysis in breast milk of first time mothers in Ireland.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…