CAS No.: 74115-24-5 — Clofentezine (丙酮中四螨嗪)

1. Primary Information

English name:	Clofentezine
CAS No.:	74115-24-5
Molecular formula:	C₁₄H₈Cl₂N₄
Molecular weight:	303.1 g/mol
SMILES:	C1=CC=C(C(=C1)C2=NN=C(N=N2)C3=CC=CC=C3Cl)Cl
Structural class:
Other identifiers:	3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine bisclofentezin clofentezine

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	100μg/ml in acetone	44	-20℃，避光	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in acetone	166	-20℃，避光	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 28 30 0 0 0 0 0 0 0999 V2000 -2.6917 2.4899 -0.0016 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6979 2.4904 0.0022 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6697 -0.2488 1.1942 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6602 -0.2480 1.1939 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6701 -0.2476 -1.1939 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6598 -0.2470 -1.1944 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7216 -0.2473 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7120 -0.2469 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2707 -0.2488 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2746 -0.2471 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4561 0.9384 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4610 0.9382 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3811 -1.4764 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3839 -1.4766 -0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8504 0.8950 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8552 0.8936 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7753 -1.5197 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7781 -1.5211 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5100 -0.3340 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5138 -0.3361 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8249 -2.4110 0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8289 -2.4124 -0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4384 1.8093 -0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4441 1.8073 0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2891 -2.4766 0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2910 -2.4784 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5955 -0.3680 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5993 -0.3710 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 12 1 0 0 0 0 3 4 2 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 9 2 0 0 0 0 6 10 2 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 13 2 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 14 2 0 0 0 0 11 15 2 0 0 0 0 12 16 2 0 0 0 0 13 17 1 0 0 0 0 13 21 1 0 0 0 0 14 18 1 0 0 0 0 14 22 1 0 0 0 0 15 19 1 0 0 0 0 15 23 1 0 0 0 0 16 20 1 0 0 0 0 16 24 1 0 0 0 0 17 19 2 0 0 0 0 17 25 1 0 0 0 0 18 20 2 0 0 0 0 18 26 1 0 0 0 0 19 27 1 0 0 0 0 20 28 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine

4.2 InChI

InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H

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)