CAS No.: 749234-11-5 — 4,5,6,7-Tetrabromo-N,N-dimethyl-1H-benzimidazol-2-amine (DMAT)

1. Primary Information

English name:	4,5,6,7-Tetrabromo-N,N-dimethyl-1H-benzimidazol-2-amine
CAS No.:	749234-11-5
Molecular formula:	C₉H₇BR₄N₃
Molecular weight:	476.79 g/mol
SMILES:	CN(C)C1=NC2=C(N1)C(=C(C(=C2Br)Br)Br)Br
Structural class:
Other identifiers:	2-dimethylamino-4,5,6,7-tetrabromo-1H-benzimidazole 4,5,6,7-tetrabromo-2-(dimethylamino)-1H-benzimidazole DMAT cpd

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	5mg	98%	360	-20℃	in stock	-
Kehua Intelligence	10mg	98%	496	-20℃	in stock	-
Kehua Intelligence	50mg	98%	1640	-20℃	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 -0.9953 3.3221 0.1236 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.0485 -3.3125 -0.1194 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.9798 1.6989 0.0620 Br 0 0 0 0 0 0 0 0 0 0 0 0 -4.0030 -1.6463 -0.0519 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.3736 1.0429 0.0363 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4661 0.0109 -0.0005 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3663 -1.1783 -0.0435 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0508 0.6813 0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0728 -0.7097 -0.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1196 -0.1019 -0.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1268 1.4290 0.0522 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1432 -1.4133 -0.0497 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3279 0.7125 0.0276 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3382 -0.6834 -0.0224 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3466 -1.0226 0.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1669 1.1706 -0.5968 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7260 1.9897 0.0779 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1589 -0.5534 1.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7757 -1.6394 -0.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7913 -1.6710 1.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1989 1.9968 0.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6648 1.5050 -1.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1954 0.9065 -0.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 12 1 0 0 0 0 3 13 1 0 0 0 0 4 14 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 17 1 0 0 0 0 6 10 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 11 13 2 0 0 0 0 12 14 2 0 0 0 0 13 14 1 0 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 16 22 1 0 0 0 0 16 23 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4,5,6,7-tetrabromo-N,N-dimethyl-1H-benzimidazol-2-amine

4.2 InChI

InChI=1S/C9H7Br4N3/c1-16(2)9-14-7-5(12)3(10)4(11)6(13)8(7)15-9/h1-2H3,(H,14,15)

4.3 InChIKey

SLPJGDQJLTYWCI-UHFFFAOYSA-N

4.4 Canonical SMILES

CN(C)C1=NC2=C(N1)C(=C(C(=C2Br)Br)Br)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)