CAS No.: 1034-41-9 — Chlordecone alcohol (Chlordecone alcohol)

1. Primary Information

English name:	Chlordecone alcohol
CAS No.:	1034-41-9
Molecular formula:	C₁₀H₂Cl₁₀O
Molecular weight:	492.6 g/mol
SMILES:	C1(C2(C3(C4(C1(C5(C2(C3(C(C45Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)O
Structural class:
Other identifiers:	chlordecone alcohol reduced kepone

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1ml	10.0ug/ml	3120	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 23 27 0 1 0 0 0 0 0999 V2000 0.4094 1.6422 -2.6500 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4080 -1.6411 -2.6511 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7186 1.6402 2.4577 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7185 -1.6407 2.4573 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.9285 2.7461 -0.4799 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.9281 -2.7459 -0.4789 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6126 2.7728 0.2948 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6115 -2.7732 0.2924 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.2310 0.0002 -0.8381 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6016 -0.0009 2.0031 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.1960 0.0005 0.4939 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0885 0.7866 -1.1311 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0882 -0.7863 -1.1314 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3706 0.7871 0.9431 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3708 -0.7873 0.9428 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1986 1.1283 -0.3272 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1988 -1.1279 -0.3275 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9258 1.1267 0.1418 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9254 -1.1272 0.1415 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1969 0.0003 -0.5155 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9234 -0.0004 0.3625 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6610 -0.0046 -1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6975 0.8284 0.4009 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 13 1 0 0 0 0 3 14 1 0 0 0 0 4 15 1 0 0 0 0 5 16 1 0 0 0 0 6 17 1 0 0 0 0 7 18 1 0 0 0 0 8 19 1 0 0 0 0 9 21 1 0 0 0 0 10 21 1 0 0 0 0 11 20 1 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 18 1 0 0 0 0 13 17 1 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

1,2,3,4,6,7,8,9,10,10-decachloropentacyclo[5.3.0.02,6.03,9.04,8]decan-5-ol

4.2 InChI

InChI=1S/C10H2Cl10O/c11-2-1(21)3(12)6(15)4(2,13)8(17)5(2,14)7(3,16)9(6,18)10(8,19)20/h1,21H

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)