CAS No.: 23576-24-1 — 3(2H)-Pyridazinone, 5-amino-4-chloro-2-[3-(trifluoromethyl)phenyl]- (Norflurazon-Desmethyl)

1. Primary Information

English name:	3(2H)-Pyridazinone, 5-amino-4-chloro-2-[3-(trifluoromethyl)phenyl]-
CAS No.:	23576-24-1
Molecular formula:	C₁₁H₇ClF₃N₃O
Molecular weight:	289.64 g/mol
SMILES:	C1=CC(=CC(=C1)N2C(=O)C(=C(C=N2)N)Cl)C(F)(F)F
Structural class:
Other identifiers:	4-chloro-5-amino-2-(alpha,alpha,alpha-trifluoro-meta-tolyl)-3(2H)-pyridazinone desmethylnorflurazon N-demethylnorflurazone N-desmethylnorflurazon

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1ml	100ug/ml	1552	2-8°C	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 26 27 0 0 0 0 0 0 0999 V2000 -3.8420 -2.4630 0.4046 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8871 -0.4470 -0.1462 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5180 -1.9497 0.6098 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5127 -1.4436 -1.5051 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0779 -1.7172 0.7909 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1442 0.5040 0.0469 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9233 1.5636 -0.3382 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2619 0.1374 -0.5339 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2593 0.8288 0.1287 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5760 0.1574 -0.0175 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2195 -0.1579 -0.0964 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6566 2.1311 0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9728 1.4595 0.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6931 -0.7496 0.3435 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0130 2.4464 0.5119 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6024 -0.8978 -0.2573 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1615 -0.8981 0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9244 0.1198 -0.2904 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1892 1.3758 -0.4841 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9410 -1.1709 -0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0646 2.9201 0.6287 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0243 1.7244 0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3222 3.4596 0.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7982 2.2424 -0.7927 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8047 -0.7083 -0.4105 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7160 0.9894 -0.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 16 1 0 0 0 0 3 16 1 0 0 0 0 4 16 1 0 0 0 0 5 14 2 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 14 1 0 0 0 0 7 19 2 0 0 0 0 8 18 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 12 2 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 10 16 1 0 0 0 0 11 20 1 0 0 0 0 12 15 1 0 0 0 0 12 21 1 0 0 0 0 13 15 2 0 0 0 0 13 22 1 0 0 0 0 14 17 1 0 0 0 0 15 23 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 24 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

5-amino-4-chloro-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one

4.2 InChI

InChI=1S/C11H7ClF3N3O/c12-9-8(16)5-17-18(10(9)19)7-3-1-2-6(4-7)11(13,14)15/h1-5H,16H2

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)