CAS No.: 1582-09-8 — Trifluralin (氟乐灵)

1. Primary Information

English name:	Trifluralin
CAS No.:	1582-09-8
Molecular formula:	C₁₃H₁₆F₃N₃O₄
Molecular weight:	335.28 g/mol
SMILES:	CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
Structural class:
Other identifiers:	Treflan Trifluralin

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	1000μg/ml in methylbenzene	312	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in n-hexane	48	2-8℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in n-hexane	208	2-8℃	in stock	-
Kehua Intelligence	250mg	98%	704	2-8℃	in stock	-
Kehua Intelligence	250mg	BR，97%	120	2-8℃	in stock	-
Kehua Intelligence	1g	BR，97%	336	2-8℃	in stock	-
Kehua Intelligence	5g	BR，97%	960	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 39 39 0 0 0 0 0 0 0999 V2000 4.4250 0.4161 -1.3353 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3898 -1.3785 -0.1180 F 0 0 0 0 0 0 0 0 0 0 0 0 4.4516 0.5759 0.8331 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1771 -3.4950 0.1302 O 0 5 0 0 0 0 0 0 0 0 0 0 0.4022 3.5104 -0.3846 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.7127 -2.3786 0.0915 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5554 2.5235 -0.2693 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8107 0.0779 -0.0856 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4605 -2.4182 0.0660 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3033 2.4787 -0.2937 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.5358 0.1922 1.1569 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5690 0.0243 -1.3371 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4096 0.0311 -0.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5739 0.3105 2.3344 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0253 -0.3420 -1.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2631 -1.1969 -0.0392 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3403 1.2115 -0.2158 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3923 -0.0629 -0.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6569 -1.2437 -0.0669 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7341 1.1646 -0.2437 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2903 0.4790 3.6672 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8690 -0.3670 -2.3378 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8830 -0.1127 -0.1987 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1769 -0.6783 1.3357 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1779 1.0811 1.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1308 -0.7213 -2.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5217 0.9829 -1.8643 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9126 1.1765 2.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9438 -0.5817 2.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5033 0.3819 -0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0978 -1.3283 -0.5986 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1898 -2.1896 -0.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3358 2.0673 -0.3227 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9041 1.3854 3.6691 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9408 -0.3773 3.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5644 0.5577 4.4827 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8724 0.6133 -2.8248 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4817 -1.1031 -3.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9039 -0.6338 -2.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 23 1 0 0 0 0 3 23 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 6 9 2 0 0 0 0 7 10 2 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 11 14 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 15 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 21 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 22 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 19 1 0 0 0 0 17 20 2 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 18 23 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 M CHG 4 4 -1 5 -1 9 1 10 1

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline

4.2 InChI

InChI=1S/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3

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)