CAS No.: 15307-78-5 — Diclofenac Methyl Ester (Diclofenac Methyl Ester)

1. Primary Information

English name:	Diclofenac Methyl Ester
CAS No.:	15307-78-5
Molecular formula:	C₁₅H₁₃Cl₂NO₂
Molecular weight:	310.2 g/mol
SMILES:	COC(=O)CC1=CC=CC=C1NC2=C(C=CC=C2Cl)Cl
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	10mg	≥90%	656	-20°C	in stock	-
Kehua Intelligence	200mg	>97%(GC)(N)	368	-20°C	in stock	-
Kehua Intelligence	1g	>97%(GC)(N)	1350	-20°C	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 33 34 0 0 0 0 0 0 0999 V2000 1.0834 -1.5496 -2.1911 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2983 0.8434 2.5632 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.5226 -2.1555 0.9404 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8516 -1.1733 -1.0358 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4365 -0.0975 0.3779 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7323 1.0218 0.3665 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3783 1.0025 0.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3631 -0.1165 1.1005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5219 2.1171 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1858 2.0784 -0.6541 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8002 -0.3755 0.1693 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9575 3.1929 -0.6695 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6037 3.1736 -1.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2158 -1.0443 -0.9874 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7535 0.0146 1.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9257 -1.1851 0.1854 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5676 -1.3196 -1.1943 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1052 -0.2609 0.9096 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5123 -0.9278 -0.2458 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1019 -3.2387 0.2058 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6711 -0.5738 1.8156 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1978 0.2687 1.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0766 -0.9416 0.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5789 2.1457 0.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2371 2.0913 -0.9285 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5724 4.0454 -0.9431 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1647 4.0113 -1.5384 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9017 -1.8386 -2.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8544 0.0375 1.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5647 -1.1421 -0.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3313 -3.7611 -0.3692 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8927 -2.8687 -0.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5407 -3.9388 0.9216 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 15 1 0 0 0 0 3 16 1 0 0 0 0 3 20 1 0 0 0 0 4 16 2 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 7 10 2 0 0 0 0 8 16 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 12 1 0 0 0 0 9 24 1 0 0 0 0 10 13 1 0 0 0 0 10 25 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 14 17 1 0 0 0 0 15 18 2 0 0 0 0 17 19 2 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

methyl 2-[2-(2,6-dichloroanilino)phenyl]acetate

4.2 InChI

InChI=1S/C15H13Cl2NO2/c1-20-14(19)9-10-5-2-3-8-13(10)18-15-11(16)6-4-7-12(15)17/h2-8,18H,9H2,1H3

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)