CAS No.: 893620-26-3 — 2,4,8-Trichloro-7-methoxyquinoline (Quinoline, 2,4,8-trichloro-7-methoxy-)

1. Primary Information

English name:	2,4,8-Trichloro-7-methoxyquinoline
CAS No.:	893620-26-3
Molecular formula:	C₁₀H₆Cl₃NO
Molecular weight:	262.5 g/mol
SMILES:	COC1=C(C2=C(C=C1)C(=CC(=N2)Cl)Cl)Cl
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	98%	1200	RT	in stock	-
Kehua Intelligence	250mg	98%	2240	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 21 22 0 0 0 0 0 0 0999 V2000 1.6781 -2.4301 -0.2215 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.4988 2.8515 0.1104 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.4863 -2.4125 0.1272 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4837 -0.0814 -0.3197 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0921 -1.4359 -0.0248 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5387 0.9094 -0.0403 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1738 -0.4526 -0.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1795 -0.7655 -0.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4463 1.9099 -0.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1590 0.2289 -0.2279 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7924 1.5684 -0.1914 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9008 1.2250 0.0546 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8493 0.2138 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3963 -1.0890 0.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1971 -0.2400 0.9043 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1998 2.9677 -0.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5452 2.3504 -0.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9099 0.4340 0.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7172 -0.9811 1.5511 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2685 0.7191 1.4268 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2078 -0.5847 0.6691 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 12 1 0 0 0 0 3 14 1 0 0 0 0 4 10 1 0 0 0 0 4 15 1 0 0 0 0 5 7 1 0 0 0 0 5 14 2 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 8 10 2 0 0 0 0 9 11 2 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 11 17 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 15 21 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2,4,8-trichloro-7-methoxyquinoline

4.2 InChI

InChI=1S/C10H6Cl3NO/c1-15-7-3-2-5-6(11)4-8(12)14-10(5)9(7)13/h2-4H,1H3

4.3 InChIKey

FYRUHYCICHPKHQ-UHFFFAOYSA-N

4.4 Canonical SMILES

COC1=C(C2=C(C=C1)C(=CC(=N2)Cl)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)