CAS No.: 37853-59-1 — 1,2-Bis(2,4,6-tribromophenoxy)ethane (1,2-双(2,4,6-三溴苯氧基)乙烷)

1. Primary Information

English name:	1,2-Bis(2,4,6-tribromophenoxy)ethane
CAS No.:	37853-59-1
Molecular formula:	C₁₄H₈BR₆O₂
Molecular weight:	687.6 g/mol
SMILES:	C1=C(C=C(C(=C1Br)OCCOC2=C(C=C(C=C2Br)Br)Br)Br)Br
Structural class:
Other identifiers:	1,2-bis(2,4,6-tribromophenoxy)ethane FF 680 FF-680

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	50mg	HPLC≥98%	808	2-8°C	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 30 31 0 0 0 0 0 0 0999 V2000 3.0384 2.6341 -1.4971 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.0355 -2.6320 -1.4999 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.9014 -2.1729 1.4358 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.9052 2.1741 1.4371 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.2636 -0.5333 0.5738 Br 0 0 0 0 0 0 0 0 0 0 0 0 -7.2651 0.5275 0.5740 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.3392 0.4092 -0.1759 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3395 -0.4059 -0.1769 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7426 -0.1581 -1.3359 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7396 0.1628 -1.3373 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6818 0.1958 -0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6778 -0.1952 -0.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5999 1.0983 -0.5363 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5992 -1.0979 -0.5377 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1217 -0.9232 0.6974 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1238 0.9233 0.6977 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9668 0.8805 -0.3633 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9664 -0.8821 -0.3645 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4887 -1.1410 0.8702 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4910 1.1389 0.8708 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4112 -0.2390 0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4123 0.2361 0.3398 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2074 0.2447 -2.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8810 -1.2451 -1.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2034 -0.2399 -2.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8787 1.2498 -1.3282 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6879 1.5829 -0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6865 -1.5852 -0.7778 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8374 -2.0135 1.4185 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8409 2.0105 1.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 14 1 0 0 0 0 3 15 1 0 0 0 0 4 16 1 0 0 0 0 5 21 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 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 19 2 0 0 0 0 16 20 2 0 0 0 0 17 21 2 0 0 0 0 17 27 1 0 0 0 0 18 22 2 0 0 0 0 18 28 1 0 0 0 0 19 21 1 0 0 0 0 19 29 1 0 0 0 0 20 22 1 0 0 0 0 20 30 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

1,3,5-tribromo-2-[2-(2,4,6-tribromophenoxy)ethoxy]benzene

4.2 InChI

InChI=1S/C14H8Br6O2/c15-7-3-9(17)13(10(18)4-7)21-1-2-22-14-11(19)5-8(16)6-12(14)20/h3-6H,1-2H2

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)