CAS No.: 101007-06-1 — Acrinathrin (氟丙菊酯)

1. Primary Information

English name:	Acrinathrin
CAS No.:	101007-06-1
Molecular formula:	C₂₆H₂₁F₆NO₅
Molecular weight:	541.4 g/mol
SMILES:	CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=CC(=O)OC(C(F)(F)F)C(F)(F)F)C
Structural class:
Other identifiers:	2,2-dimethyl-3-(3-oxo-3-(2,2,2-trifluoro-1-(trifluoromethyl)ethoxy)-1-propenyl)cyano(3-phenoxyphenyl)cyclopropanecarboxylic acid, methyl ester acrinathrin acrinathrin, 1R-(1alpha(S*)),3alpha(Z)-isomer cyclopropanecarboxylic acid, 2,2-dimethyl-3-((1Z)-3-oxo-3-(2,2,2-trifluoro-1-(trifluoromethyl)ethoxy)-1-propen-1-yl)-, (S)-cyano(3-phenoxyphenyl)methyl ester, (1R,3S)-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1ml	1000μg/ml in acetone	312	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methylbenzene	152	2-8℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methylbenzene	312	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 59 61 0 1 0 0 0 0 0999 V2000 -3.5675 -0.0081 1.8183 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.4669 -0.7955 2.5496 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.3398 -1.8980 1.0471 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.2867 0.0004 -1.1124 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.3435 -1.8882 -0.5753 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.5632 -0.8251 0.8890 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9392 -0.1253 0.1168 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3521 -0.3412 -0.1106 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5456 0.2541 -0.7504 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7732 2.2345 0.1550 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0025 -1.3849 -0.1476 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9364 -2.7872 2.2311 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3713 2.7137 -0.5998 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1204 2.6261 -0.7381 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4107 1.7840 0.2812 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9335 3.9664 -0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2499 2.0991 -1.6383 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7251 1.9604 -1.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3441 0.3261 0.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9342 1.3816 -1.9276 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1014 -1.5341 -0.0755 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7780 1.3766 -0.7135 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4200 -1.7928 -0.7664 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0111 -2.2344 1.2135 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6172 -1.4648 -0.1303 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4351 0.0809 0.3577 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4399 -2.3601 -2.0406 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8344 -1.7041 -0.7683 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6568 -2.5993 -2.6787 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6920 -0.6578 1.4506 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6698 -0.6620 -0.1096 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8541 -2.2714 -2.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0827 -0.1527 0.4794 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6098 0.9901 -0.1654 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6363 -0.0545 1.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6904 2.2312 0.4662 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7170 1.1867 2.3875 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2440 2.3295 1.7427 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6752 3.4922 -0.3894 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5555 2.0735 1.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2906 4.3850 0.7656 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0546 4.7317 -0.7908 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9146 3.7764 0.4318 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4152 2.8119 -2.4548 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8632 1.1841 -2.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2327 1.8613 -1.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1636 1.9580 -2.8375 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3031 0.8907 -2.8212 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3035 -1.9143 -0.7273 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5911 -1.0384 0.8697 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7672 1.0546 0.7383 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5163 -2.6202 -2.5507 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6724 -3.0404 -3.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7990 -2.4597 -2.5446 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1930 0.9458 -1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0057 -0.9415 2.2631 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3254 3.1216 -0.0375 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1480 1.2631 3.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3074 3.2959 2.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 30 1 0 0 0 0 3 30 1 0 0 0 0 4 31 1 0 0 0 0 5 31 1 0 0 0 0 6 31 1 0 0 0 0 7 19 1 0 0 0 0 7 21 1 0 0 0 0 8 19 2 0 0 0 0 9 22 1 0 0 0 0 9 26 1 0 0 0 0 10 22 2 0 0 0 0 11 28 1 0 0 0 0 11 33 1 0 0 0 0 12 24 3 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 14 39 1 0 0 0 0 15 19 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 20 2 0 0 0 0 18 47 1 0 0 0 0 20 22 1 0 0 0 0 20 48 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 21 49 1 0 0 0 0 23 25 2 0 0 0 0 23 27 1 0 0 0 0 25 28 1 0 0 0 0 25 50 1 0 0 0 0 26 30 1 0 0 0 0 26 31 1 0 0 0 0 26 51 1 0 0 0 0 27 29 2 0 0 0 0 27 52 1 0 0 0 0 28 32 2 0 0 0 0 29 32 1 0 0 0 0 29 53 1 0 0 0 0 32 54 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 34 36 1 0 0 0 0 34 55 1 0 0 0 0 35 37 2 0 0 0 0 35 56 1 0 0 0 0 36 38 2 0 0 0 0 36 57 1 0 0 0 0 37 38 1 0 0 0 0 37 58 1 0 0 0 0 38 59 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

[(S)-cyano-(3-phenoxyphenyl)methyl] (1R,3S)-3-[(Z)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate

4.2 InChI

InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11-/t18-,19+,21-/m0/s1

4.3 InChIKey

YLFSVIMMRPNPFK-WEQBUNFVSA-N

4.4 Canonical SMILES

CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=CC(=O)OC(C(F)(F)F)C(F)(F)F)C

4.5 Isomeric SMILES

CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F)C

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)