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Tri-6
CAS: 58-89-9 | C6H6Cl6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
58-89-9
Molecular Formula:
C6H6Cl6
Molecular Weight:
290.832 g/mol
Names and Synonyms:
Tri-6
Lindane
Ameisenmittel Merck
Aplidal
Aalindan
Ovadziak
Benzene hexachloride
Nexit
Owadziak
Dol Granule
Heclotox
Quellada
Omnitox
Hexyclan
DBH
666
Entomoxan
Hexachlorocyclohexane
Hortex
Lindosep
Codechine
1,2,3,4,5,6-Hexachlorocyclohexane
γ-Hexachlorobenzene
γ-Hexachlorane
γ-Hexachloran
Nicochloran
Mszycol
Lendine
Gammalin
Lidenal
Lindatox
HCCH
Gammalin 20
Kokotine
Arbitex
Gammexane
Sang-gamma
γ-HCH
Lintox
Lentox
HCH
Bentox 10
Gamacid
TAP 85
Pedraczak
Streunex
γ-BHC
Lorexane
γ-Lindane
Lindane
Kwell
Jacutin
HGI
γ-Hexachlorocyclohexane
γ-1,2,3,4,5,6-Hexachlorocyclohexane
Hexachlorane
Hexachloran
Gexane
Gamma-HCH
Gamma benzene hexachloride
BHC
Bexol
γ-Benzene hexachloride
Ben-Hex
BBH
Aphtiria
Aparasin
Agrocide WP
Agrocide III
Agrocide
Aficide
ENT 7,796
(1α,2α,3β,4α,5α,6β)-1,2,3,4,5,6-Hexachlorocyclohexane
Cyclohexane, 1,2,3,4,5,6-hexachloro-, γ-
Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1α,2α,3β,4α,5α,6β)-
Gammaxene
Scabecid
Scabene
Gamene
Esoderm
Lindafor
Viton
Prodactif
Kanodane
Gamacide
Arcotal S
Gamacide 20
BHC (insecticide)
Bercema-Spritz-Lindan 50
Nexit Stark
Gamoline
Lintox 3
Inexit
Hexatin
γ-Benzohexachloride
Spritzlindane
PLK
Lasochron
Benhexol
Verindal Ultra
Hilbeech
Geobilan
Geolin G 3
γ-666
Mglawik L
Fenoform forte
Hungaria L 7
Forst-Nexen
HCC
Lindex
Linvur
Hexaverm
Devoran
Chloresene
Neo-Scabicidol
Hexicide
Spruehpflanzol
Spritz-Rapidin
Pflanzol
Nexol E
Nexen FB
Milbol 49
Gammaterr
Hexa
Drilltox-Spezial Aglukon
Detmol Extract
Celanex
Identifiers:
SMILES:
Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl
InChI:
InChI=1/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4+,5+,6+
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 290.83 g/mol | Legacy Database |
| density | 1.85 g/cm³ | Legacy Database | |
| cas-boiling-point | 323.4 °C @ Press: 760 Torr | Legacy Database | |
| cas-canonical-smile | ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl | Legacy Database | |
| cas-density | 1.85 g/cm3 | Legacy Database | |
| cas-inchi | InChI=1/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4+,5+,6+ | Legacy Database | |
| cas-inchi-key | InChIKey=JLYXXMFPNIAWKQ-GNIYUCBRNA-N | Legacy Database | |
| cas-melting-point | 112.5 °C | Legacy Database | |
| cas-name | Lindane | Legacy Database | |
| LogP | 3.644400000000001 | RDKit | |
| Molecular | Molecular Weight | 290.832 g/mol | RDKit |
| Exact | Exact Molecular Weight | 287.860066272 g/mol | RDKit |
| Heavy | Heavy Atom Count | 12 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 0 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 0.0 Ų | RDKit |
| Molar | Molar Refractivity | 57.846000000000025 | RDKit |
