CAS No.: 73536-69-3 — Bifendate (联苯双酯)

1. Primary Information

English name:	Bifendate
CAS No.:	73536-69-3
Molecular formula:	C₂₀H₁₈O₁₀
Molecular weight:	418.3 g/mol
SMILES:	COC1=C2C(=C(C(=C1)C(=O)OC)C3=C4C(=C(C=C3C(=O)OC)OC)OCO4)OCO2
Structural class:
Other identifiers:	7,7'-dimethoxy-(4,4'-bi-1,3-benzodioxole)-5,5'-dicarboxylic acid dimethyl ester alpha-diphenyldicarboxylate BDD biphenyl dimethyl-dicarboxylate dimethyl 4,4'-dimethoxy-5,6,5',6'-dimethylenedioxybiphenyl-2,2'-dicarboxylate

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	HPLC≥98%	144	2-8℃,避光	in stock	-
Kehua Intelligence	5g	≥98%	80	2-8℃,避光	in stock	-
Kehua Intelligence	25g	≥98%	320	2-8℃,避光	in stock	-
Kehua Intelligence	100g	≥98%	800	2-8℃,避光	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 48 51 0 0 0 0 0 0 0999 V2000 -1.2405 1.4861 -1.9056 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2405 -1.4859 -1.9056 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5988 0.9904 -1.9401 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5988 -0.9903 -1.9402 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8013 -1.0164 -0.2462 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8014 1.0165 -0.2461 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0887 -3.0304 0.9931 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0887 3.0303 0.9933 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1525 -1.5501 2.7394 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1525 1.5499 2.7395 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7065 -0.1590 -0.1826 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7065 0.1590 -0.1826 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5758 0.5061 -1.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5758 -0.5060 -1.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2394 -1.1399 0.6573 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2394 1.1398 0.6573 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9223 0.2230 -1.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9224 -0.2229 -1.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4739 -0.7406 -0.2232 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4738 0.7407 -0.2232 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6152 -1.4290 0.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6153 1.4290 0.6371 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5271 1.7883 -2.4832 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5271 -1.7882 -2.4833 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3961 -1.8944 1.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3961 1.8943 1.5781 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6396 -0.2730 0.6409 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6396 0.2730 0.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 -3.8595 1.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9320 3.8593 1.8002 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0191 -2.1956 1.2952 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0192 2.1954 1.2954 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7518 2.8460 -2.3042 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4751 1.6172 -3.5645 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7518 -2.8460 -2.3043 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4751 -1.6170 -3.5647 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5844 0.7963 0.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6703 -0.6094 0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3498 -0.4532 1.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3498 0.4530 1.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5844 -0.7963 0.4138 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6703 0.6093 0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3844 -4.2136 2.6783 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2344 -4.7224 1.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8276 -3.3067 2.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3844 4.2134 2.6785 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2343 4.7223 1.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8276 3.3066 2.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 23 1 0 0 0 0 2 14 1 0 0 0 0 2 24 1 0 0 0 0 3 17 1 0 0 0 0 3 23 1 0 0 0 0 4 18 1 0 0 0 0 4 24 1 0 0 0 0 5 19 1 0 0 0 0 5 27 1 0 0 0 0 6 20 1 0 0 0 0 6 28 1 0 0 0 0 7 25 1 0 0 0 0 7 29 1 0 0 0 0 8 26 1 0 0 0 0 8 30 1 0 0 0 0 9 25 2 0 0 0 0 10 26 2 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 11 15 1 0 0 0 0 12 14 2 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 15 21 2 0 0 0 0 15 25 1 0 0 0 0 16 22 2 0 0 0 0 16 26 1 0 0 0 0 17 19 2 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 31 1 0 0 0 0 22 32 1 0 0 0 0 23 33 1 0 0 0 0 23 34 1 0 0 0 0 24 35 1 0 0 0 0 24 36 1 0 0 0 0 27 37 1 0 0 0 0 27 38 1 0 0 0 0 27 39 1 0 0 0 0 28 40 1 0 0 0 0 28 41 1 0 0 0 0 28 42 1 0 0 0 0 29 43 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 30 46 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

methyl 7-methoxy-4-(7-methoxy-5-methoxycarbonyl-1,3-benzodioxol-4-yl)-1,3-benzodioxole-5-carboxylate

4.2 InChI

InChI=1S/C20H18O10/c1-23-11-5-9(19(21)25-3)13(17-15(11)27-7-29-17)14-10(20(22)26-4)6-12(24-2)16-18(14)30-8-28-16/h5-6H,7-8H2,1-4H3

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)