CAS No.: 866927-10-8 — CID 11771269 (IC87201)

1. Primary Information

English name:	CID 11771269
CAS No.:	866927-10-8
Molecular formula:	C₁₃H₁₀Cl₂N₄O
Molecular weight:	309.15 g/mol
SMILES:	C1=CC2=NNN=C2C=C1NCC3=C(C(=CC(=C3)Cl)Cl)O
Structural class:
Other identifiers:	2-((1H-benzo(d)(1,2,3)triazol-5-ylamino)methyl)-4,6-dichlorophenol IC 87201 IC-87201 IC87201

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1mg	95%	960	-20℃	in stock	-
Kehua Intelligence	5mg	95%	2400	-20℃	in stock	-
Kehua Intelligence	10mg	95%	3600	-20℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 30 32 0 0 0 0 0 0 0999 V2000 -5.1539 -2.3921 0.3077 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.8577 2.9773 0.0228 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.2219 -2.2651 -0.2794 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1447 0.0773 0.5004 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5403 -0.0148 -1.6585 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6532 0.0393 0.3599 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6870 -0.0010 -0.9745 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6351 0.0461 -0.6919 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1069 0.1127 -0.4025 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5646 0.0681 0.4856 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2191 0.0268 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6240 0.0206 -0.6771 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2504 0.1013 1.7292 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3337 0.0547 0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8422 -1.0516 -0.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7224 1.3582 -0.3329 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6528 0.0960 1.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2087 -0.9698 0.0603 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0888 1.4399 -0.0651 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8320 0.2760 0.1315 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4096 -0.8342 -1.3067 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3837 0.9080 -1.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3092 0.0963 1.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7228 0.0008 -1.7195 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6707 0.1327 2.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1419 2.2655 -0.4835 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1561 0.1218 2.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8977 0.3415 0.3402 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5745 -0.0212 -1.4634 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2788 -2.1724 -0.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 19 1 0 0 0 0 3 15 1 0 0 0 0 3 30 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 4 23 1 0 0 0 0 5 7 1 0 0 0 0 5 12 2 0 0 0 0 6 7 1 0 0 0 0 6 14 2 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 15 2 0 0 0 0 9 16 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 12 14 1 0 0 0 0 13 17 2 0 0 0 0 13 25 1 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 16 19 2 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 18 20 2 0 0 0 0 19 20 1 0 0 0 0 20 28 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-[(2H-benzotriazol-5-ylamino)methyl]-4,6-dichlorophenol

4.2 InChI

InChI=1S/C13H10Cl2N4O/c14-8-3-7(13(20)10(15)4-8)6-16-9-1-2-11-12(5-9)18-19-17-11/h1-5,16,20H,6H2,(H,17,18,19)

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)