N-(1H-Benzotriazol-1-yl)-2,4-dichlorobenzamide

Base Information

• Chemical Name: N-(1H-Benzotriazol-1-yl)-2,4-dichlorobenzamide
• CAS No.: 200626-61-5
• Molecular Formula: C13H7 Cl2 N3 O
• Molecular Weight: 292.12
• Hs Code.: 2933990090
• European Community (EC) Number: 633-827-6
• DSSTox Substance ID: DTXSID30354402
• Wikidata: Q27145219
• ChEMBL ID: CHEMBL1394350
• Mol file: 200626-61-5.mol

Synonyms:ITSA-1;200626-61-5;ITSA1;N-(1H-Benzotriazol-1-yl)-2,4-dichlorobenzamide;ITSA-1 (ITSA1);benzotriazol-1-yl-(2,4-dichlorophenyl)methanone;(1H-Benzo[d][1,2,3]triazol-1-yl)(2,4-dichlorophenyl)methanone;CHEBI:75330;1-(2,4-dichlorobenzoyl)-1H-1,2,3-benzotriazole;1H-benzotriazol-1-yl(2,4-dichlorophenyl)methanone;Methanone, 1H-benzotriazol-1-yl(2,4-dichlorophenyl)-;MFCD00195103;CBChromo1_000142;Probes1_000164;Probes2_000339;C13H7Cl2N3O;CBDivE_009565;Methanone,1H-benzotriazol-1-yl(2,4-dichlorophenyl)-;SCHEMBL1906738;CHEMBL1394350;DTXSID30354402;BCP18420;EX-A1199;HSCI1_000063;s8323;STK025261;AKOS000734061;CCG-267395;CS-5854;ITSA-1, >=98% (HPLC), solid;NCGC00165812-01;AC-36056;BS-15788;HY-100508;C73803;A920444;SR-01000407209;J-012989;SR-01000407209-1;BRD-K17476933-001-02-6;Q27145219;1-(2,4-Dichlorobenzoyl)-1H-benzotriazole

Chemical Property of N-(1H-Benzotriazol-1-yl)-2,4-dichlorobenzamide

Chemical Property:

• Vapor Pressure: 1.68E-09mmHg at 25°C
• Melting Point: 119-121°C
• Boiling Point: 483.4°C at 760 mmHg
• Flash Point: 246.2°C
• PSA: 47.78000
• Density: 1.51g/cm³
• LogP: 3.42660
• Storage Temp.: 2-8°C
• Solubility.: DMSO: ~28mg/mL
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 290.9966172
• Heavy Atom Count: 19
• Complexity: 355

Purity/Quality:

98%Min ^*data from raw suppliers

ITSA-1(ITSA1) >98% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=NN2C(=O)C3=C(C=C(C=C3)Cl)Cl
• Uses: Histone deacetylase (HDAC) inhibitors?are able to interrupt cell cycle progression in transformed cell lines and may be explored as new clinical agents in cancer therapy. 1-(2,4-Dichlorobenzoyl)-1H-benzotriazole has been shown to suppress the biological effects induced by the HDAC inhibitor, Trichostatin A (T774710).