CAS No.: 53179-78-5 — Deltamethrinic acid ((1R-cis)-Decamethrinic Acid)

1. Primary Information

English name:	Deltamethrinic acid
CAS No.:	53179-78-5
Molecular formula:	C₈H₁₀BR₂O₂
Molecular weight:	297.97 g/mol
SMILES:	CC1(C(C1C(=O)O)C=C(Br)Br)C
Structural class:
Other identifiers:	deltamethrinic acid

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	10mg	10.0ug/ml	2710	2-8℃	in stock	-
Kehua Intelligence	100mg	10.0ug/ml	21224	2-8℃	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 -3.4669 0.5262 -1.4080 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.6912 -0.0075 1.6186 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.5647 -2.1282 -0.5950 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5651 -1.9503 0.2163 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6615 0.8061 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2819 0.9557 0.5420 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0371 -0.3046 0.7926 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7267 1.6396 0.6291 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8831 0.5711 -1.4574 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8755 0.8974 -0.3729 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5800 -1.5351 0.1216 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1362 0.5295 -0.0867 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1447 1.6310 1.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3879 -0.4587 1.8086 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7093 1.1738 0.4978 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7574 2.6351 0.1733 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5691 1.7730 1.7053 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1125 -0.0208 -1.9605 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9330 1.5307 -1.9854 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8412 0.0640 -1.6201 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6853 1.2356 -1.3902 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2529 -2.9443 -1.0411 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,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid

4.2 InChI

InChI=1S/C8H10Br2O2/c1-8(2)4(3-5(9)10)6(8)7(11)12/h3-4,6H,1-2H3,(H,11,12)/t4-,6-/m0/s1

4.3 InChIKey

MDIQXIJPQWLFSD-NJGYIYPDSA-N

4.4 Canonical SMILES

CC1(C(C1C(=O)O)C=C(Br)Br)C

4.5 Isomeric SMILES

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