CAS No.: 3252-36-6 — 5-Bromo-4-chloro-3-indolyl acetate (5-溴-4-氯-3-吲哚乙酸酯)

1. Primary Information

English name:	5-Bromo-4-chloro-3-indolyl acetate
CAS No.:	3252-36-6
Molecular formula:	C₁₀H₇BRClNO₂
Molecular weight:	288.52 g/mol
SMILES:	CC(=O)OC1=CNC2=C1C(=C(C=C2)Br)Cl
Structural class:
Other identifiers:	5-bromo-4-chloroindoxyl acetate BCDA

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	25mg	99%	128	-20℃	in stock	-
Kehua Intelligence	100mg	99%	400	-20℃	in stock	-
Kehua Intelligence	250mg	99%	840	-20℃	in stock	-
Kehua Intelligence	1g	99%	2080	-20℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 22 23 0 0 0 0 0 0 0999 V2000 -3.7204 -2.2421 -0.2372 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.4005 -2.4128 0.3171 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.9967 -0.4468 0.6142 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2054 0.1898 -1.2666 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0532 2.4355 0.1520 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3628 0.2440 0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9506 1.5008 0.0333 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0272 0.4576 0.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2519 1.8146 0.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1796 -0.9014 0.1142 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3200 1.6699 -0.2004 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5510 -0.7475 -0.1189 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1102 0.5194 -0.2734 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0522 -0.5022 -0.2685 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0084 -1.5787 0.1522 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0770 3.4352 0.0816 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1544 2.3973 0.5029 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7561 2.6559 -0.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1765 0.6382 -0.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3629 -1.3831 1.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8708 -1.5817 -0.5206 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5156 -2.5524 0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 10 1 0 0 0 0 3 8 1 0 0 0 0 3 14 1 0 0 0 0 4 14 2 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 16 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 9 17 1 0 0 0 0 10 12 2 0 0 0 0 11 13 2 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 15 20 1 0 0 0 0 15 21 1 0 0 0 0 15 22 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(5-bromo-4-chloro-1H-indol-3-yl) acetate

4.2 InChI

InChI=1S/C10H7BrClNO2/c1-5(14)15-8-4-13-7-3-2-6(11)10(12)9(7)8/h2-4,13H,1H3

4.3 InChIKey

WPWLFFMSSOAORQ-UHFFFAOYSA-N

4.4 Canonical SMILES

CC(=O)OC1=CNC2=C1C(=C(C=C2)Br)Cl

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)