CAS No.: 115-32-2 — Dicofol (3-氯杀螨醇)

1. Primary Information

English name:	Dicofol
CAS No.:	115-32-2
Molecular formula:	C₁₄H₉Cl₅O
Molecular weight:	370.5 g/mol
SMILES:	C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)(C(Cl)(Cl)Cl)O)Cl
Structural class:
Other identifiers:	Dicofol Keltane Kelthane

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	100μg/ml in methanol	48	2-8℃	in stock	-
Kehua Intelligence	1ml	100μg/ml in n-hexane	48	-20℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in n-hexane	208	-20℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 29 30 0 0 0 0 0 0 0999 V2000 0.0953 -2.2287 -2.0560 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0723 -3.4743 0.3198 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7753 -3.0676 0.1343 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.0793 2.2731 -0.3248 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8570 2.4847 -0.5302 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0039 -1.2077 1.8823 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0238 -0.8662 0.4584 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2796 -0.0855 0.2633 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2497 0.0092 0.2006 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1726 -2.2934 -0.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5265 1.0447 1.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3891 0.5560 -1.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2077 -0.4864 -0.6979 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1224 0.1570 1.2317 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7014 1.7741 0.8605 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5235 1.3345 -1.2653 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3827 0.2431 -0.8798 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2567 0.9356 1.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6296 1.3734 -0.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4573 1.5244 -0.2465 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8191 1.3743 1.7988 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6591 0.4539 -1.8283 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1185 -1.3690 -1.3094 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0131 -0.2850 2.2142 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7491 -1.7991 2.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8809 2.6525 1.4753 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6626 1.7941 -2.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1023 -0.0855 -1.6255 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9772 1.0740 1.8043 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 10 1 0 0 0 0 3 10 1 0 0 0 0 4 19 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 8 13 1 0 0 0 0 9 12 2 0 0 0 0 9 14 1 0 0 0 0 11 15 1 0 0 0 0 11 21 1 0 0 0 0 12 16 1 0 0 0 0 12 22 1 0 0 0 0 13 17 2 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 19 2 0 0 0 0 15 26 1 0 0 0 0 16 20 2 0 0 0 0 16 27 1 0 0 0 0 17 19 1 0 0 0 0 17 28 1 0 0 0 0 18 20 1 0 0 0 0 18 29 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethanol

4.2 InChI

InChI=1S/C14H9Cl5O/c15-11-5-1-9(2-6-11)13(20,14(17,18)19)10-3-7-12(16)8-4-10/h1-8,20H

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)