DAABD-Cl - ≥97% , CAS No.664985-43-7

CAS: 664985-43-7 Cat. No.: D405673 Molecular Weight: 304.75 EC Number: 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

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

Specifications & Purity

≥97%

Storage

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

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504770405
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770405
• Canonical Smiles: 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
• Isomeric SMILES: CN(C)CCNS(=O)(=O)C1=CC=C(C2=NON=C12)Cl
• Molecular Weight: 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
    • Class Benzoxadiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: DMSO (Slightly), Methanol (Slightly)
• Sensitivity: Light Sensitive,Heat Sensitive
• Melt Point(°C): 102 - 104°C
• Molecular Weight: 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