CAS No.: 789-02-6 — O,P'-Ddt (2,4'-滴滴涕)

1. Primary Information

English name:	O,P'-Ddt
CAS No.:	789-02-6
Molecular formula:	C₁₄H₉Cl₅
Molecular weight:	354.5 g/mol
SMILES:	C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl
Structural class:
Other identifiers:	1,1,1-trichloro-2-(2-chlorophenyl)-2-(4-chlorophenyl)ethane 2,4'-DDT benzene, 1-chloro-2-(2,2,2-trichloro-1-(4-chlorophenyl)ethyl)-, (R)- o,p'-DDT o,p'-DDT, (-)-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	100μg/ml in n-hexane	72	2-8℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in n-hexane	208	2-8℃	in stock	-
Kehua Intelligence	50mg	97%	1840	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 28 29 0 1 0 0 0 0 0999 V2000 0.3068 -2.5401 -1.7488 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6106 -3.2946 0.8827 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2087 -2.8493 0.4401 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1691 1.3795 2.5370 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.1264 1.5069 -0.5581 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3539 -0.7284 0.4398 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0075 -0.1721 0.1921 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4837 0.2650 0.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5695 -2.2367 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2941 0.4577 -1.0191 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9948 -0.2824 1.1714 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8744 1.2146 0.9703 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0321 0.1220 -1.1789 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5675 0.9775 -1.2509 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2683 0.2372 0.9395 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8932 2.0921 0.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0510 0.9994 -1.5501 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5546 0.8673 -0.2716 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4814 1.9844 -0.6613 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4422 -0.8297 1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 0.5506 -1.8121 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7900 -0.7591 2.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7306 -0.5827 -1.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7779 1.4627 -2.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0270 0.1459 1.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2398 2.8657 1.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5039 0.9223 -2.5344 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2732 2.6689 -0.9513 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 2 9 1 0 0 0 0 3 9 1 0 0 0 0 4 12 1 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 20 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 8 13 2 0 0 0 0 10 14 1 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 13 17 1 0 0 0 0 13 23 1 0 0 0 0 14 18 2 0 0 0 0 14 24 1 0 0 0 0 15 18 1 0 0 0 0 15 25 1 0 0 0 0 16 19 1 0 0 0 0 16 26 1 0 0 0 0 17 19 2 0 0 0 0 17 27 1 0 0 0 0 19 28 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

1-chloro-2-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene

4.2 InChI

InChI=1S/C14H9Cl5/c15-10-7-5-9(6-8-10)13(14(17,18)19)11-3-1-2-4-12(11)16/h1-8,13H

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)