CAS No.: 79622-59-6 — Fluazinam (-)

1. Primary Information

English name:	Fluazinam
CAS No.:	79622-59-6
Molecular formula:	C₁₃H₄Cl₂F₆N₄O₄
Molecular weight:	465.09 g/mol
SMILES:	C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F
Structural class:
Other identifiers:	3-chloro-N-(3-chloro-2,6-dinitro-4-trifluoromethylphenyl)-5-trifluoromethyl-2-pyridinamine fluazinam

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	1000μg/ml in methanol	208	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methanol	80	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methanol	64	-20℃，避光	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methanol	166	-20℃，避光	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 33 34 0 0 0 0 0 0 0999 V2000 -3.7957 2.5248 -0.3591 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 -0.1157 3.1710 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.3454 -1.5207 -1.1780 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.8729 0.3107 -0.1427 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.0234 0.4016 -2.1423 F 0 0 0 0 0 0 0 0 0 0 0 0 6.4727 0.1081 -0.3605 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6411 -0.9409 -2.0669 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5623 1.2308 -1.9852 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 2.2865 1.2578 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.6340 3.3721 0.5702 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4921 -3.6488 0.3187 O 0 5 0 0 0 0 0 0 0 0 0 0 0.2550 -2.5652 1.0884 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3455 -0.1100 1.2349 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0106 2.3081 0.7812 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9029 -2.5819 0.6097 N 0 3 0 0 0 0 0 0 0 0 0 0 1.6773 -0.0095 -0.7161 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9641 -0.1276 0.6935 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6445 1.0685 0.4651 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5725 -1.3453 0.3885 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5414 -0.1709 -0.3732 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9333 1.0469 -0.0683 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8611 -1.3670 -0.1448 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6157 -0.0567 0.6396 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9206 -0.2449 -0.9463 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7459 -0.0537 1.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0879 0.0496 -0.5414 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9959 0.0005 0.8452 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9095 0.0424 -1.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4096 0.1083 -1.2209 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3486 -2.3077 -0.3877 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3691 -0.5440 2.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8969 0.0041 1.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9182 0.0791 -2.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 25 1 0 0 0 0 3 24 1 0 0 0 0 4 24 1 0 0 0 0 5 24 1 0 0 0 0 6 29 1 0 0 0 0 7 29 1 0 0 0 0 8 29 1 0 0 0 0 9 14 1 0 0 0 0 10 14 2 0 0 0 0 11 15 1 0 0 0 0 12 15 2 0 0 0 0 13 17 1 0 0 0 0 13 23 1 0 0 0 0 13 31 1 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 16 23 1 0 0 0 0 16 28 2 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 18 21 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 20 24 1 0 0 0 0 22 30 1 0 0 0 0 23 25 2 0 0 0 0 25 27 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 27 32 1 0 0 0 0 28 33 1 0 0 0 0 M CHG 4 9 -1 11 -1 14 1 15 1

4. International Nomenclature & Identifiers

4.1 IUPAC Name

3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine

4.2 InChI

InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)

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)