CAS No.: 101-55-3 — 1-Bromo-4-phenoxybenzene (4-溴联苯醚)

1. Primary Information

English name:	1-Bromo-4-phenoxybenzene
CAS No.:	101-55-3
Molecular formula:	C₁₂H₉BRO
Molecular weight:	249.10 g/mol
SMILES:	C1=CC=C(C=C1)OC2=CC=C(C=C2)Br
Structural class:
Other identifiers:	4-bromodiphenyl ether

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	250mg	99%	448	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 23 24 0 0 0 0 0 0 0999 V2000 4.9352 -1.2188 0.0917 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.5071 1.4024 0.0549 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7407 0.8015 0.0629 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5985 0.5931 -0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9513 -0.3021 0.8694 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7439 1.3212 -0.7349 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6225 -0.4640 -0.9293 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6938 0.8211 0.8136 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2081 -0.9069 0.8786 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0009 0.7164 -0.7259 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2331 -0.3978 0.0808 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7417 -1.2930 -1.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8129 -0.0080 0.7369 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8368 -1.0650 -0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1772 -0.7028 1.5173 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5643 2.1881 -1.3633 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7938 -0.6512 -1.6071 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6809 1.6428 1.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 -1.7712 1.5165 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7883 1.1255 -1.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7628 -2.1128 -1.7182 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6658 0.1696 1.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7087 -1.7097 -0.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 2 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 6 10 2 0 0 0 0 6 16 1 0 0 0 0 7 12 1 0 0 0 0 7 17 1 0 0 0 0 8 13 2 0 0 0 0 8 18 1 0 0 0 0 9 11 2 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 12 14 2 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 14 23 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

1-bromo-4-phenoxybenzene

4.2 InChI

InChI=1S/C12H9BrO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H

4.3 InChIKey

JDUYPUMQALQRCN-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)Br

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)