CAS No.: 122453-73-0 — Chlorfenapyr (溴虫腈)

1. Primary Information

English name:	Chlorfenapyr
CAS No.:	122453-73-0
Molecular formula:	C₁₅H₁₁BRClF₃N₂O
Molecular weight:	407.61 g/mol
SMILES:	CCOCN1C(=C(C(=C1C(F)(F)F)Br)C#N)C2=CC=C(C=C2)Cl
Structural class:
Other identifiers:	AC 303630 AC303630 chlorfenapyr

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1ml	100μg/ml in methanol	80	2-8℃	in stock	-
Kehua Intelligence	1ml	1000μg/ml in methanol	208	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in n-hexane	80	2-8℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in n-hexane	312	2-8℃	in stock	-
Kehua Intelligence	100mg	HPLC≥98%	844	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 34 35 0 0 0 0 0 0 0999 V2000 -3.2050 -2.9436 -0.5217 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.9742 0.5472 0.3357 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.4423 -0.3143 0.2265 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.4122 0.9191 1.6829 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.4188 1.4942 -0.4142 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5201 2.3637 -0.4808 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8128 0.2147 0.3281 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7361 -4.1037 -0.8957 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1625 -0.7146 0.0562 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0507 -0.3558 0.1856 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4736 -1.8981 -0.2661 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5748 1.5918 0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8695 -1.6703 -0.1838 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5704 -0.4088 0.1239 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2945 0.4112 0.4151 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2368 0.0637 -1.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2660 -0.5858 1.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3166 3.7415 -0.1988 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5985 0.3589 -0.9417 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6276 -0.2903 1.3853 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1924 -3.1122 -0.6127 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2939 0.1819 0.2544 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2673 4.5095 -1.5024 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3787 1.9375 1.3658 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3670 1.6610 1.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7087 0.2082 -1.9465 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7610 -0.9528 2.2104 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1386 4.1177 0.4204 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6265 3.8724 0.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1045 0.7267 -1.8306 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1566 -0.4327 2.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1112 5.5768 -1.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5419 4.1363 -2.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1989 4.3781 -2.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 22 1 0 0 0 0 3 15 1 0 0 0 0 4 15 1 0 0 0 0 5 15 1 0 0 0 0 6 12 1 0 0 0 0 6 18 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 8 21 3 0 0 0 0 9 11 2 0 0 0 0 9 14 1 0 0 0 0 10 13 2 0 0 0 0 10 15 1 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 16 19 1 0 0 0 0 16 26 1 0 0 0 0 17 20 2 0 0 0 0 17 27 1 0 0 0 0 18 23 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 19 22 2 0 0 0 0 19 30 1 0 0 0 0 20 22 1 0 0 0 0 20 31 1 0 0 0 0 23 32 1 0 0 0 0 23 33 1 0 0 0 0 23 34 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile

4.2 InChI

InChI=1S/C15H11BrClF3N2O/c1-2-23-8-22-13(9-3-5-10(17)6-4-9)11(7-21)12(16)14(22)15(18,19)20/h3-6H,2,8H2,1H3

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)