CAS No.: 1011-13-8 — 1-(2-Bromophenyl)piperazine (1-(2-溴苯基)哌嗪)

1. Primary Information

English name:	1-(2-Bromophenyl)piperazine
CAS No.:	1011-13-8
Molecular formula:	C₁₀H₁₃BRN₂
Molecular weight:	241.13 g/mol
SMILES:	C1CN(CCN1)C2=CC=CC=C2Br
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	10mg	HPLC≥98%	320	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 26 27 0 0 0 0 0 0 0999 V2000 0.6507 -2.6624 -0.4094 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.7497 0.1477 -0.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5998 0.2713 0.1027 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4491 -0.0642 1.2716 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4901 0.9075 -1.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8624 -0.5909 1.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9028 0.3473 -1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6489 0.1925 0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4479 -0.9592 -0.1519 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3044 1.4267 0.2001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8403 -0.8785 -0.1303 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6968 1.5074 0.2215 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4647 0.3547 0.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4891 0.8827 1.8251 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9084 -0.7854 1.8966 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9753 0.8526 -1.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5378 1.9643 -0.7245 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8217 -1.6133 0.6291 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4000 -0.6378 1.9786 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4698 0.9938 -1.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8632 -0.6471 -1.6425 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5327 -0.1132 -0.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7267 2.3384 0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4558 -1.7655 -0.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1833 2.4673 0.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5488 0.4177 0.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 8 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 22 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 7 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 9 11 2 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 11 13 1 0 0 0 0 11 24 1 0 0 0 0 12 13 2 0 0 0 0 12 25 1 0 0 0 0 13 26 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

1-(2-bromophenyl)piperazine

4.2 InChI

InChI=1S/C10H13BrN2/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13/h1-4,12H,5-8H2

4.3 InChIKey

JVTRURBMYILQDA-UHFFFAOYSA-N

4.4 Canonical SMILES

C1CN(CCN1)C2=CC=CC=C2Br

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)