DAABD-Cl - ≥97% , CAS No.664985-43-7

CAS: 664985-43-7 Cat. No.: D405673 Peso molecular: 304.75 Número EC: 677-144-1

GRADE & PURITY ≥97%

Synonyms

7-Chloro-N-(2-(dimethylamino)ethyl)benzo[c][1,2,5]oxadiazole-4-sulfonamide | 4-[2-(Dimethylamino)ethylaminosulfonyl]-7-chloro-2,1,3-benzoxadiazole | DTXSID30659762 | 4-chloro-N-[2-(dimethylamino)ethyl]-2,1,3-benzoxadiazole-7-sulfonamide | MFCD08276273 | D

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

7-Chloro-N-(2-(dimethylamino)ethyl)benzo[c][1, 2, 5]oxadiazole-4-sulfonamide | 4-[2-(Dimethylamino)ethylaminosulfonyl]-7-chloro-2, 1, 3-benzoxadiazole | DTXSID30659762 | 4-chloro-N-[2-(dimethylamino)ethyl]-2, 1, 3-benzoxadiazole-7-sulfonamide | MFCD08276273 | D

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504770405
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770405
• Sonrisas canónicas: CN(C)CCNS(=O)(=O)C1=CC=C(C2=NON=C12)Cl
• IUPAC Name: 4-chloro-N-[2-(dimethylamino)ethyl]-2,1,3-benzoxadiazole-7-sulfonamide
• InChIKey: RJEYFWVHUXSWTA-UHFFFAOYSA-N
• INCHI: 1S/C10H13ClN4O3S/c1-15(2)6-5-12-19(16,17)8-4-3-7(11)9-10(8)14-18-13-9/h3-4,12H,5-6H2,1-2H3
• Isómeros SMILES: CN(C)CCNS(=O)(=O)C1=CC=C(C2=NON=C12)Cl
• Peso molecular: 304.75
• Reaxy-Rn: 10081207
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10081207&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzoxadiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzoxadiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoxadiazoles
• Alternative Parents: Organosulfonamides Benzenoids Aryl chlorides Heteroaromatic compounds Furazans Aminosulfonyl compounds Trialkylamines Oxacyclic compounds Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzoxadiazole - Aryl chloride - Aryl halide - Organosulfonic acid amide - Benzenoid - Azole - Furazan - Oxadiazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Azacycle - Oxacycle - Amine - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Organochloride - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoxadiazoles. These are organic compounds containing a benzene fused to an oxadiazole ring (a five-membered ring with two carbon atoms, one nitrogen atom, and one oxygen atom).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Solubilidad: DMSO (Slightly), Methanol (Slightly)
• Sensibilidad: Light Sensitive,Heat Sensitive
• Punto de fusión (°C): 102 - 104°C
• Peso molecular: 304.750 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 304.04 Da
• Monoisotopic Mass: 304.04 Da
• Topological Polar Surface Area: 96.700 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 400.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1