CAS No.: 5103-71-9 — cis-Chlordane (顺式氯丹)

1. Primary Information

English name:	cis-Chlordane
CAS No.:	5103-71-9
Molecular formula:	C₁₀H₆Cl₈
Molecular weight:	409.8 g/mol
SMILES:	C1C2C(C(C1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	100μg/ml in n-hexane	104	2-8℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in n-hexane	312	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 24 26 0 1 0 0 0 0 0999 V2000 -0.5125 -2.7384 -0.9705 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.8145 2.6121 -0.4518 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.1093 0.1526 -2.8455 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.1875 -0.5301 -0.9765 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.1164 -1.9310 0.0167 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7555 1.1856 -0.7883 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0169 -2.0802 2.2278 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.8086 1.2323 2.5516 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9134 -0.3823 -0.5733 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5374 1.1373 -0.4373 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4683 -1.0910 -0.3804 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9990 1.0892 -0.1699 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4409 -0.0937 -1.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0261 -0.6052 0.4591 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4847 1.7132 0.6233 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6967 0.7708 0.5948 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9318 -0.8688 1.0468 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2409 0.4278 1.1732 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2994 -0.5569 -1.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7452 1.6406 -1.3913 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6206 -0.8779 1.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7462 2.7550 0.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0398 1.6975 1.6228 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2987 0.8518 1.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 12 1 0 0 0 0 3 13 1 0 0 0 0 4 13 1 0 0 0 0 5 14 1 0 0 0 0 6 16 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 19 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 10 20 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 16 24 1 0 0 0 0 17 18 2 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(1R,2S,3R,4S,6S,7S)-1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene

4.2 InChI

InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2/t2-,3-,4-,5-,8-,9+/m0/s1

4.3 InChIKey

BIWJNBZANLAXMG-KMMBHOGFSA-N

4.4 Canonical SMILES

C1C2C(C(C1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl

4.5 Isomeric SMILES

C1[C@H]2[C@@H]([C@H]([C@H]1Cl)Cl)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

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)