CAS No.: 55701-03-6 — 3-(2,2-Dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid (反式右旋菊酸)

1. Primary Information

English name:	3-(2,2-Dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid
CAS No.:	55701-03-6
Molecular formula:	C₈H₁₀Cl₂O₂
Molecular weight:	209.07 g/mol
SMILES:	CC1(C(C1C(=O)O)C=C(Cl)Cl)C
Structural class:
Other identifiers:	3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane carboxylic acid 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane carboxylic acid, calcium salt 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane carboxylic acid, monosodium salt CDCCA compound cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane carboxylic acid

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1g	95%mixTBCasstabilizer	1160	RT	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 3.9869 -1.0254 0.7910 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.9252 0.6182 -1.4192 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.4472 -0.2366 0.6392 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4721 -1.5377 -0.9585 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5150 1.0056 0.1372 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0995 -0.2866 -0.2780 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1202 -0.2947 0.5788 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1950 1.8006 -0.9263 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1322 1.8532 1.1815 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3733 -0.7209 0.3291 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3846 -0.7702 -0.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6170 -0.4053 -0.0629 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0085 -0.5948 -1.3136 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0025 -0.5638 1.6252 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0383 2.3611 -0.5083 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4984 2.5212 -1.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5791 1.1836 -1.7461 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5305 1.2733 2.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9567 2.4331 0.7528 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5921 2.5608 1.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2708 -1.3845 1.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2994 -0.5397 0.2594 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

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)

4.3 InChIKey

LLMLSUSAKZVFOA-UHFFFAOYSA-N

4.4 Canonical SMILES

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

4.5 Isomeric SMILES

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)