CAS No.: 72-55-9 — p,p'-DDE (2,2-双(4-氯苯基)-1,1-二氯乙烯)

1. Primary Information

English name:	p,p'-DDE
CAS No.:	72-55-9
Molecular formula:	C₁₄H₈Cl₄
Molecular weight:	318.0 g/mol
SMILES:	C1=CC(=CC=C1C(=C(Cl)Cl)C2=CC=C(C=C2)Cl)Cl
Structural class:
Other identifiers:	1,1-dichloro-2,2-bis(p-chlorophenyl)ethylene DDE DDMU DDX Dichlorodiphenyl Dichloroethylene

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	250mg	HPLC≥99%	199	2-8℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in n-hexane	208	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in n-hexane	48	2-8℃	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 -5.1726 2.0275 0.0004 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2032 1.9949 -0.0001 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.5082 -3.2279 -0.0011 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4177 -3.2615 0.0011 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0061 -0.9329 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2944 -0.1901 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2736 -0.2194 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8625 0.1346 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8813 0.1226 1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8622 0.1350 1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8810 0.1235 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0734 0.8271 -1.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0965 0.8075 1.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0731 0.8274 1.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0962 0.8083 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6786 1.1736 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7039 1.1503 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0344 -2.3004 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3994 -0.1317 -2.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4221 -0.1379 2.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3987 -0.1309 2.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4215 -0.1364 -2.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5340 1.0899 -2.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5588 1.0673 2.1569 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5334 1.0904 2.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5581 1.0686 -2.1569 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 17 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 2 0 0 0 0 6 10 1 0 0 0 0 7 9 2 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 8 19 1 0 0 0 0 9 13 1 0 0 0 0 9 20 1 0 0 0 0 10 14 2 0 0 0 0 10 21 1 0 0 0 0 11 15 2 0 0 0 0 11 22 1 0 0 0 0 12 16 2 0 0 0 0 12 23 1 0 0 0 0 13 17 2 0 0 0 0 13 24 1 0 0 0 0 14 16 1 0 0 0 0 14 25 1 0 0 0 0 15 17 1 0 0 0 0 15 26 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene

4.2 InChI

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

4.3 InChIKey

UCNVFOCBFJOQAL-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC(=CC=C1C(=C(Cl)Cl)C2=CC=C(C=C2)Cl)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)