CAS No.: 1928-37-6 — Methyl (2,4,5-trichlorophenoxy)acetate (2,4,5-T 甲基酯)

1. Primary Information

English name:	Methyl (2,4,5-trichlorophenoxy)acetate
CAS No.:	1928-37-6
Molecular formula:	C₉H₇Cl₃O₃
Molecular weight:	269.5 g/mol
SMILES:	COC(=O)COC1=CC(=C(C=C1Cl)Cl)Cl
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	10ml	10ug/ml	528	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 22 22 0 0 0 0 0 0 0999 V2000 0.1135 -2.8139 -0.0134 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3469 2.5229 0.1833 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7564 -0.2394 -0.7446 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9165 -0.1104 0.8019 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9901 0.9865 -0.6586 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4875 -0.8782 0.6059 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3980 -0.1476 0.4419 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0051 -1.3380 0.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1377 1.0343 0.4793 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7720 0.7388 0.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4845 1.0260 0.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3520 -1.3463 -0.3211 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0916 -0.1644 -0.2837 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1632 0.1621 0.0495 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3561 0.5674 -0.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6654 1.9600 0.8003 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7959 1.7291 0.5064 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4344 0.8042 -1.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8238 -2.2759 -0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4258 -0.4022 -1.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9049 1.3076 -1.3273 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7963 0.5176 0.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 11 1 0 0 0 0 3 13 1 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 14 2 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 8 12 2 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 10 14 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 11 13 2 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 15 20 1 0 0 0 0 15 21 1 0 0 0 0 15 22 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

methyl 2-(2,4,5-trichlorophenoxy)acetate

4.2 InChI

InChI=1S/C9H7Cl3O3/c1-14-9(13)4-15-8-3-6(11)5(10)2-7(8)12/h2-3H,4H2,1H3

4.3 InChIKey

JUCNGUOYQGHBJC-UHFFFAOYSA-N

4.4 Canonical SMILES

COC(=O)COC1=CC(=C(C=C1Cl)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)