CAS No.: 59042-50-1 — (1R,3S)-3-(2,2-Dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid (rac-trans-Permethrinic Acid)

1. Primary Information

English name:	(1R,3S)-3-(2,2-Dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid
CAS No.:	59042-50-1
Molecular formula:	C₈H₁₀Cl₂O₂
Molecular weight:	209.07 g/mol
SMILES:	CC1(C(C1C(=O)O)C=C(Cl)Cl)C
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1ml	100ug/ml	3360	-20°C	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 22 22 0 1 0 0 0 0 0999 V2000 -3.9843 -1.0217 0.7826 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.9173 0.6198 -1.4267 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4733 -0.2549 0.6220 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4265 -1.5350 -0.9567 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5184 1.0066 0.1391 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0943 -0.2855 -0.2792 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1224 -0.2938 0.5818 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2453 1.8267 1.1239 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2942 1.8295 -0.8349 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3696 -0.7199 0.3249 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3884 -0.7675 -0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6123 -0.4042 -0.0701 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0128 -0.5783 -1.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0059 -0.5548 1.6302 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4065 2.5907 1.5636 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0783 2.3467 0.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6437 1.2453 1.9627 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6992 1.2390 -1.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6536 2.5991 -1.2801 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1293 2.3340 -0.3372 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2692 -1.3837 1.1833 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3117 -0.5725 0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 12 1 0 0 0 0 3 11 1 0 0 0 0 3 22 1 0 0 0 0 4 11 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 13 1 0 0 0 0 7 11 1 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 12 2 0 0 0 0 10 21 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid

4.2 InChI

InChI=1S/C8H10Cl2O2/c1-8(2)4(3-5(9)10)6(8)7(11)12/h3-4,6H,1-2H3,(H,11,12)/t4-,6+/m1/s1

4.3 InChIKey

LLMLSUSAKZVFOA-XINAWCOVSA-N

4.4 Canonical SMILES

CC1(C(C1C(=O)O)C=C(Cl)Cl)C

4.5 Isomeric SMILES

CC1([C@@H]([C@H]1C(=O)O)C=C(Cl)Cl)C

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

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)