1,2,3,4,6,7-Hexachloronaphthalene
Basic information
- CAS
103426-96-6- Standard SMILES
Clc1cc2c(Cl)c(Cl)c(Cl)c(Cl)c2cc1Cl- InChIKey
ZRNSVEOEIWQEMU-UHFFFAOYSA-N- Molecular formula
- C10H2Cl6
- Average molar mass
- 334.8 g/mol
- Monoisotopic mass
- 331.828766
Overview
accelerates the spermatogenesis in rat
Names & identifiers
- Preferred name
- 1,2,3,4,6,7-Hexachloronaphthalene
- IUPAC
- 1,2,3,4,6,7-hexachloronaphthalene
- English name
- 1,2,3,4,6,7-Hexachloronaphthalene
- Molecular formula
- C10H2Cl6
- Molecular weight
- 334.84
Names & synonyms
1,2,3,4,6,7-Hexachloronaphthalene103426-96-6Naphthalene, 1,2,3,4,6,7-hexachloro-PCN-66UNII-YZK13CUI5EDTXSID60368851,2,3,4,6,7-HxCNRefChem:71266DTXCID4016885PCN 66YZK13CUI5ENaphthalene, 1,2,3,4,6,7-hexachloro
Show more names
Butenafine Impurity 84
starbld0004440SCHEMBL29508966ZRNSVEOEIWQEMU-UHFFFAOYSA-NNS00066945Q27894116
Database identifiers
- CAS
103426-96-6- PubChem CID
- 107698
- DTXSID
DTXSID6036885- UNII
- YZK13CUI5E
- Nikkaji
- J570.945H
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 234
Experimental & physicochemical properties
LogP6.77
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section155.4 Ų [M]+ [CCS Type: TIMS, Method: calibration with PAHs]
Physicochemical properties
- Melting point
- 170 · 170-175°C
- solubility
- Chloroform (Slightly)
- form
- Solid
- color
- Off-White to Pale Beige
- Henry's Law Constant
- 4.3 · 4.3×10-1 mol/(m3Pa) at 25℃, Ebert et al. (2023)
- FDA UNII
- 13 CUI5E · YZK13CUI5E
- EPA Substance Registry System
- 1 · Naphthalene, 1,2,3,4,6,7-hexachloro- (103426-96-6)
Chemistry & industry
Applications
Uses1,2,3,4,6,7-Hexachloronaphthalene is a persistent organohalogenated pollutant found in the air and wastewater.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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