CAS No.: 6022-33-9 — 1-Chloro-N'-(3,4-dichlorophenyl)-N,N-dimethylformamidine (1CHLORON34DICHLOROPHENYLNNDIMETHYLFORMAMIDINE)

1. Primary Information

English name:	1-Chloro-N'-(3,4-dichlorophenyl)-N,N-dimethylformamidine
CAS No.:	6022-33-9
Molecular formula:	C₉H₉Cl₃N₂
Molecular weight:	251.5 g/mol
SMILES:	CN(C)C(=NC1=CC(=C(C=C1)Cl)Cl)Cl
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	25mg	-	7760	-20°C	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 23 23 0 0 0 0 0 0 0999 V2000 -1.6071 -0.0080 -1.8571 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.2296 2.2738 -0.0516 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5553 -0.6578 -0.4069 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.4740 0.1340 0.0443 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2132 -0.0804 0.7721 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1569 -0.2017 0.4921 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0998 0.0117 -0.1836 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9972 0.1651 1.4087 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4784 0.0933 -1.0151 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 0.9414 0.3686 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7231 -1.4645 0.3395 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3035 0.8208 0.0905 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0844 -1.5852 0.0615 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8747 -0.4425 -0.0629 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1225 -0.8555 1.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9651 0.6754 1.4573 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3225 0.7055 2.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4979 0.1444 -0.6176 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4007 -0.8403 -1.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3526 0.9416 -1.6957 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4883 1.9226 0.4907 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1148 -2.3599 0.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5129 -2.5775 -0.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 2 12 1 0 0 0 0 3 14 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 12 1 0 0 0 0 10 21 1 0 0 0 0 11 13 2 0 0 0 0 11 22 1 0 0 0 0 12 14 2 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

N'-(3,4-dichlorophenyl)-N,N-dimethylcarbamimidoyl chloride

4.2 InChI

InChI=1S/C9H9Cl3N2/c1-14(2)9(12)13-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3

4.3 InChIKey

WKQYAIDXQNGNIQ-UHFFFAOYSA-N

4.4 Canonical SMILES

CN(C)C(=NC1=CC(=C(C=C1)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)