CAS No.: 50471-44-8 — Vinclozolin (乙烯菌核利)

1. Primary Information

English name:	Vinclozolin
CAS No.:	50471-44-8
Molecular formula:	C₁₂H₉Cl₂NO₃
Molecular weight:	286.11 g/mol
SMILES:	CC1(C(=O)N(C(=O)O1)C2=CC(=CC(=C2)Cl)Cl)C=C
Structural class:
Other identifiers:	3-(3,5-dichlorophenyl)-5-methyl-5-vinyl-1,3-oxazolidine-2,4-dione Ronilan vinclozolin

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	100μg/ml in acetone	80	2-8℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in acetone	208	2-8℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methanol	208	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in n-hexane	80	2-8℃	in stock	-
Kehua Intelligence	50mg	99%	392	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 27 28 0 1 0 0 0 0 0999 V2000 3.9853 -2.5247 -0.6000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7335 2.8038 0.2195 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.5389 -0.9643 0.6165 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1783 1.9714 -0.6568 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7697 -2.2829 1.0887 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5051 -0.1258 0.1933 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7742 0.3785 0.1881 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3896 0.8793 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3880 1.1732 1.3311 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1945 -1.2198 0.6571 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9182 -0.0393 0.0683 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6310 0.3688 -1.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5603 1.1959 0.1903 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6731 -1.1896 -0.1761 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0601 -1.1052 -0.2979 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9472 1.2802 0.0684 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2056 -0.7292 -1.5351 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6971 0.1296 -0.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5605 2.2188 1.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3415 0.7347 1.6477 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7327 1.1645 2.2101 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8110 1.3173 -1.5336 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0003 2.1001 0.4121 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 -2.1571 -0.3079 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8233 -0.6548 -2.4244 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0926 -1.7134 -1.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7788 0.1954 -0.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 16 1 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 4 8 2 0 0 0 0 5 10 2 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 17 2 0 0 0 0 12 22 1 0 0 0 0 13 16 1 0 0 0 0 13 23 1 0 0 0 0 14 15 2 0 0 0 0 14 24 1 0 0 0 0 15 18 1 0 0 0 0 16 18 2 0 0 0 0 17 25 1 0 0 0 0 17 26 1 0 0 0 0 18 27 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-1,3-oxazolidine-2,4-dione

4.2 InChI

InChI=1S/C12H9Cl2NO3/c1-3-12(2)10(16)15(11(17)18-12)9-5-7(13)4-8(14)6-9/h3-6H,1H2,2H3

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)