CAS No.: 72-54-8 — p,p'-DDD (4,4'-滴滴滴)

1. Primary Information

English name:	p,p'-DDD
CAS No.:	72-54-8
Molecular formula:	C₁₄H₁₀Cl₄
Molecular weight:	320.0 g/mol
SMILES:	C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl
Structural class:
Other identifiers:	DDD Dichlorodiphenyldichloroethane TDE

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	100μg/ml in n-hexane	48	-20℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in n-hexane	248	-20℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 28 29 0 0 0 0 0 0 0999 V2000 -1.5915 -3.3294 0.2498 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2901 -3.5072 0.0616 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.0199 2.1154 0.1703 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.8887 2.3168 0.3449 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0133 -1.1068 -0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2369 -0.3054 -0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2657 -0.2284 -0.1992 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0673 -2.4107 0.4811 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7015 0.4539 -1.3227 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3366 -0.4408 -1.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9420 -0.3160 0.9545 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2467 0.7229 0.7875 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8713 1.2026 -1.1932 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4695 0.3550 -0.8576 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1117 0.4326 1.0843 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3796 1.5187 0.9577 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5765 1.1921 0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4911 1.3347 0.1352 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0306 -1.4522 -1.4348 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0161 -2.2019 1.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1622 0.4729 -2.2662 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3258 -1.1916 -1.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6079 -0.8727 1.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4138 0.8780 1.4619 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2214 1.7898 -2.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3273 0.2023 -1.5076 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6485 0.4189 2.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3846 2.2746 1.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 8 1 0 0 0 0 3 17 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 8 1 0 0 0 0 5 19 1 0 0 0 0 6 9 2 0 0 0 0 6 11 1 0 0 0 0 7 10 2 0 0 0 0 7 12 1 0 0 0 0 8 20 1 0 0 0 0 9 13 1 0 0 0 0 9 21 1 0 0 0 0 10 14 1 0 0 0 0 10 22 1 0 0 0 0 11 15 2 0 0 0 0 11 23 1 0 0 0 0 12 16 2 0 0 0 0 12 24 1 0 0 0 0 13 17 2 0 0 0 0 13 25 1 0 0 0 0 14 18 2 0 0 0 0 14 26 1 0 0 0 0 15 17 1 0 0 0 0 15 27 1 0 0 0 0 16 18 1 0 0 0 0 16 28 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

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

4.2 InChI

InChI=1S/C14H10Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13-14H

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)