CAS No.: 1698-60-8 — Chloridazon (5-amino-4-chloro-2-phenylpyridazin-3(2H)-one)

1. Primary Information

English name:	Chloridazon
CAS No.:	1698-60-8
Molecular formula:	C₁₀H₈ClN₃O
Molecular weight:	221.64 g/mol
SMILES:	C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)N)Cl
Structural class:
Other identifiers:	1-phenyl-4-amino-5-chloropyridazin-6-one chlordiazon chloridazon PAC herbicide phenazon

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1ml	1000μg/ml in methanol	312	库房通风低温干燥,与食品原料分开储运	in stock	-
Kehua Intelligence	50mg	98%	360	库房通风低温干燥,与食品原料分开储运	in stock	-
Kehua Intelligence	1g	95%	56	库房通风低温干燥,与食品原料分开储运	in stock	-
Kehua Intelligence	5g	95%	68	库房通风低温干燥,与食品原料分开储运	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 23 24 0 0 0 0 0 0 0999 V2000 -3.4721 -1.9017 0.1744 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5937 -2.0324 0.3835 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 0.2154 0.0017 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5092 1.5002 -0.1329 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1238 1.1138 -0.2002 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3876 0.1184 -0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9245 -0.8688 0.1565 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0045 -1.0403 -0.4851 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1632 1.1839 0.4447 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3831 -0.5610 0.0588 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8379 0.6832 -0.1018 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7812 1.6997 -0.1745 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3962 -1.1335 -0.4999 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5548 1.0909 0.4299 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1713 -0.0680 -0.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4375 -1.8753 -0.8841 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7151 2.0947 0.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1278 2.7416 -0.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8768 -2.0321 -0.8756 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1588 1.9191 0.7887 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2549 -0.1399 -0.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8814 0.4440 -0.1525 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3264 2.0982 -0.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 7 2 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 12 2 0 0 0 0 5 11 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 8 13 1 0 0 0 0 8 16 1 0 0 0 0 9 14 2 0 0 0 0 9 17 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 18 1 0 0 0 0 13 15 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

5-amino-4-chloro-2-phenylpyridazin-3-one

4.2 InChI

InChI=1S/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2

4.3 InChIKey

WYKYKTKDBLFHCY-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)N)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)