CAS No.: 53-19-0 — Mitotane (米托坦)

1. Primary Information

English name:	Mitotane
CAS No.:	53-19-0
Molecular formula:	C₁₄H₁₀Cl₄
Molecular weight:	320.0 g/mol
SMILES:	C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl
Structural class:
Other identifiers:	Chloditan Chlodithane Khloditan Lysodren Mitotane

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	100μg/ml in n-hexane	80	2-8℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in n-hexane	208	2-8℃	in stock	-
Kehua Intelligence	10mg	HPLC≥99%	136	2-8℃	in stock	-
Kehua Intelligence	100mg	99%(HPLC)	204	2-8℃	in stock	-
Kehua Intelligence	500mg	99%(HPLC)	448	2-8℃	in stock	-
Kehua Intelligence	5g	99%(HPLC)	960	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 -2.2541 -2.8230 0.4328 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5311 -3.4877 0.0176 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.3723 -0.1497 -2.4626 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.1888 1.3987 0.0393 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3570 -0.8791 -0.2460 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0213 -0.3139 -0.1756 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4188 0.1927 0.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5794 -2.1942 0.5785 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5362 0.4058 -1.2539 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7955 -0.5042 0.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3362 0.5501 -0.8851 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3818 0.7451 1.3259 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8251 0.9348 -1.1878 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0843 0.0250 1.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2805 1.5251 -0.5635 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3263 1.7200 1.6476 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5993 0.7444 -0.0432 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2754 2.1101 0.7028 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4602 -1.2120 -1.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4145 -2.0571 1.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9456 0.5632 -2.1525 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4317 -1.0383 1.8399 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6620 0.4480 2.0804 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2131 1.4936 -2.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6748 -0.1268 1.9352 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0269 1.8402 -1.2883 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3246 2.1733 2.6345 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0110 2.8687 0.9536 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 11 1 0 0 0 0 4 17 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 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 2 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 2 0 0 0 0 10 22 1 0 0 0 0 11 15 2 0 0 0 0 12 16 1 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 17 1 0 0 0 0 14 25 1 0 0 0 0 15 18 1 0 0 0 0 15 26 1 0 0 0 0 16 18 2 0 0 0 0 16 27 1 0 0 0 0 18 28 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

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

4.2 InChI

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