CAS No.: 23844-57-7 — Dichlorprop-methyl (Dichlorpropmethylester )

1. Primary Information

English name:	Dichlorprop-methyl
CAS No.:	23844-57-7
Molecular formula:	C₁₀H₁₀Cl₂O₃
Molecular weight:	249.09 g/mol
SMILES:	CC(C(=O)OC)OC1=C(C=C(C=C1)Cl)Cl
Structural class:
Other identifiers:	(+-)-isomer of dichlorprop methyl ester dichlorprop methyl ester methyl dichlorprop

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	-	760	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 25 25 0 1 0 0 0 0 0999 V2000 1.6408 2.8196 -0.2951 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7371 -1.5252 0.4485 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5698 0.7966 -0.5250 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6216 -0.6020 0.7177 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7196 -0.5497 -1.4043 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5671 0.5203 0.4462 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6784 0.2757 -0.2977 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0656 1.8434 1.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6858 -0.2585 -0.2156 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7874 1.1053 -0.1717 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -1.1050 -0.1947 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0450 0.5479 0.0599 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0693 -1.6624 0.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1859 -0.8360 0.1642 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7264 -1.3701 0.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1739 -0.0889 1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8342 1.6993 1.7661 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2405 2.4129 1.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4924 2.4644 0.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0454 -1.7632 -0.3026 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9166 1.1913 0.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1647 -2.7425 0.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3745 -2.3213 -0.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2777 -0.8026 -0.5257 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3944 -1.5762 1.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 14 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 9 1 0 0 0 0 4 15 1 0 0 0 0 5 9 2 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 16 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 10 12 1 0 0 0 0 11 13 2 0 0 0 0 11 20 1 0 0 0 0 12 14 2 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 15 23 1 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

methyl 2-(2,4-dichlorophenoxy)propanoate

4.2 InChI

InChI=1S/C10H10Cl2O3/c1-6(10(13)14-2)15-9-4-3-7(11)5-8(9)12/h3-6H,1-2H3

4.3 InChIKey

SCHCPDWDIOTCMJ-UHFFFAOYSA-N

4.4 Canonical SMILES

CC(C(=O)OC)OC1=C(C=C(C=C1)Cl)Cl

4.5 Isomeric SMILES

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

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)