CAS No.: 1639895-85-4 — CID 126843228 (tBID)

1. Primary Information

English name:	CID 126843228
CAS No.:	1639895-85-4
Molecular formula:	C₁₁H₃BR₄N₃O₂
Molecular weight:	528.78 g/mol
SMILES:	C1=CN=C(N1)N2C(=O)C3=C(C2=O)C(=C(C(=C3Br)Br)Br)Br
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1mg	98%	1200	-20℃	in stock	-
Kehua Intelligence	5mg	98%	2800	-20℃	in stock	-
Kehua Intelligence	10mg	98%	4000	-20℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 23 25 0 0 0 0 0 0 0999 V2000 1.9055 -3.3156 0.0177 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 3.3332 -0.0167 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.7958 -1.6051 0.0088 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.7343 1.7302 -0.0092 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.8946 -2.3727 -0.0384 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9806 2.2875 0.0376 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4499 -0.0521 0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5978 1.0869 0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6683 -1.1327 -0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7387 -0.7022 0.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 0.6784 -0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6403 -1.1824 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6826 1.1074 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9242 -1.4105 0.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8718 1.4300 -0.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8830 -0.0786 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1109 -0.6723 0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0849 0.7361 -0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9232 0.7547 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9415 -0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2202 2.0248 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7035 1.5018 0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8066 -1.2670 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 15 1 0 0 0 0 3 17 1 0 0 0 0 4 18 1 0 0 0 0 5 12 2 0 0 0 0 6 13 2 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 16 1 0 0 0 0 8 16 1 0 0 0 0 8 19 1 0 0 0 0 8 21 1 0 0 0 0 9 16 2 0 0 0 0 9 20 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 14 17 2 0 0 0 0 15 18 2 0 0 0 0 17 18 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4,5,6,7-tetrabromo-2-(1H-imidazol-2-yl)isoindole-1,3-dione

4.2 InChI

InChI=1S/C11H3Br4N3O2/c12-5-3-4(6(13)8(15)7(5)14)10(20)18(9(3)19)11-16-1-2-17-11/h1-2H,(H,16,17)

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)