CAS No.: 3328-98-1 — o,o'-DDE (2,2′-滴滴伊)

1. Primary Information

English name:	o,o'-DDE
CAS No.:	3328-98-1
Molecular formula:	C₁₄H₈Cl₄
Molecular weight:	318.0 g/mol
SMILES:	C1=CC=C(C(=C1)C(=C(Cl)Cl)C2=CC=CC=C2Cl)Cl
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	10ml	10ug/ml	1592	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 26 27 0 0 0 0 0 0 0999 V2000 -1.4872 0.0138 2.6226 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4714 0.0415 -2.6236 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5001 -2.9814 0.1145 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4158 -3.0135 -0.1284 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.6876 -0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2714 0.0285 -0.1048 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2878 0.0564 0.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0143 0.3894 1.0191 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9956 0.4117 -1.0179 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7345 0.3518 -1.3802 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7162 0.3573 1.3813 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2204 1.0737 0.8676 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1962 1.1046 -0.8623 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9405 1.0360 -1.5317 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9168 1.0502 1.5368 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6835 1.3970 -0.4078 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6568 1.4239 0.4152 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0316 -2.0533 -0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2079 0.0545 -2.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1878 0.0475 2.2735 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8121 1.3620 1.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7857 1.4029 -1.7256 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3062 1.2797 -2.5249 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2804 1.2906 2.5316 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6238 1.9277 -0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5927 1.9614 0.5365 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 9 1 0 0 0 0 3 18 1 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 18 2 0 0 0 0 6 8 1 0 0 0 0 6 10 2 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 8 12 2 0 0 0 0 9 13 2 0 0 0 0 10 14 1 0 0 0 0 10 19 1 0 0 0 0 11 15 1 0 0 0 0 11 20 1 0 0 0 0 12 16 1 0 0 0 0 12 21 1 0 0 0 0 13 17 1 0 0 0 0 13 22 1 0 0 0 0 14 16 2 0 0 0 0 14 23 1 0 0 0 0 15 17 2 0 0 0 0 15 24 1 0 0 0 0 16 25 1 0 0 0 0 17 26 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

1-chloro-2-[2,2-dichloro-1-(2-chlorophenyl)ethenyl]benzene

4.2 InChI

InChI=1S/C14H8Cl4/c15-11-7-3-1-5-9(11)13(14(17)18)10-6-2-4-8-12(10)16/h1-8H

4.3 InChIKey

KXIMKQKQRACGHT-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC=C(C(=C1)C(=C(Cl)Cl)C2=CC=CC=C2Cl)Cl

4.5 Isomeric SMILES

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)