CAS No.: 26644-46-2 — Triforine (嗪胺灵)

1. Primary Information

English name:	Triforine
CAS No.:	26644-46-2
Molecular formula:	C₁₀H₁₄Cl₆N₄O₂
Molecular weight:	435.0 g/mol
SMILES:	C1CN(CCN1C(C(Cl)(Cl)Cl)NC=O)C(C(Cl)(Cl)Cl)NC=O
Structural class:
Other identifiers:	N,N'-bis(1-formamido-2,2,2-trichloroethyl)piperazine Saprol triforin-20 triforine

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1ml	1000μg/ml in acetone	208	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in acetone	80	2-8℃	in stock	-
Kehua Intelligence	10mg	Purity≥97%	96	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 36 36 0 1 0 0 0 0 0999 V2000 -5.2240 1.1687 0.4558 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.0443 1.0718 2.3880 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.8496 2.7729 0.0352 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2172 -1.1785 0.4473 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0353 -1.0899 2.3774 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8342 -2.7644 0.0060 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.1991 -2.0473 -1.7378 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2138 2.0668 -1.7128 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3447 -0.0015 -0.0497 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3453 0.0192 -0.0508 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2701 -1.2835 0.2678 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2776 1.2867 0.2831 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7491 -1.2544 -0.4784 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7679 -1.1650 -0.7235 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7683 1.1377 -0.7969 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7483 1.2431 -0.5561 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7992 0.0255 -0.1695 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7998 -0.0147 -0.1690 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4339 1.1823 0.6385 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4267 -1.1838 0.6273 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9172 -2.1802 -0.5538 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9310 2.1886 -0.5279 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 -1.6413 -1.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7531 -1.9267 0.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1975 2.1093 -0.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9518 0.9986 -1.8717 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9554 -1.0960 -1.8045 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1879 -2.1207 -0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7424 1.9608 0.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1929 1.5991 -1.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0782 0.1415 -1.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0793 -0.1253 -1.2266 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0849 -1.5540 1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0900 1.5489 1.2461 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1703 -3.0986 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1883 3.0997 0.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 19 1 0 0 0 0 3 19 1 0 0 0 0 4 20 1 0 0 0 0 5 20 1 0 0 0 0 6 20 1 0 0 0 0 7 21 2 0 0 0 0 8 22 2 0 0 0 0 9 14 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 10 18 1 0 0 0 0 11 17 1 0 0 0 0 11 21 1 0 0 0 0 11 33 1 0 0 0 0 12 18 1 0 0 0 0 12 22 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 19 1 0 0 0 0 17 31 1 0 0 0 0 18 20 1 0 0 0 0 18 32 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

N-[2,2,2-trichloro-1-[4-(2,2,2-trichloro-1-formamidoethyl)piperazin-1-yl]ethyl]formamide

4.2 InChI

InChI=1S/C10H14Cl6N4O2/c11-9(12,13)7(17-5-21)19-1-2-20(4-3-19)8(18-6-22)10(14,15)16/h5-8H,1-4H2,(H,17,21)(H,18,22)

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)