Tetrabromobisphenol S Dimethyl Ether - ≥95% , CAS No.70156-79-5

CAS: 70156-79-5 Cat. No.: T346391 Summenformel: C₁₄H₁₀Br₄O₄S Molekulargewicht: 593.91 EG-Nummer: 874-687-8 PubChem CID: 2302732

QUALITÄT & REINHEIT ≥95%

Synonyms

EN300-217007 | AKOS001027117 | SCHEMBL11564130 | 1,3-dibromo-5-(3,5-dibromo-4-methoxyphenyl)sulfonyl-2-methoxybenzene | 1,3-DIBROMO-5-(3,5-DIBROMO-4-METHOXYBENZENESULFONYL)-2-METHOXYBENZENE | Z56756182 | DTXSID501016699 | Tetrabromobisphenol S-dimethyl et

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Spezifikationen

Synonyme

EN300-217007 | AKOS001027117 | SCHEMBL11564130 | 1,3-dibromo-5-(3,5-dibromo-4-methoxyphenyl)sulfonyl-2-methoxybenzene | 1,3-DIBROMO-5-(3,5-DIBROMO-4-METHOXYBENZENESULFONYL)-2-METHOXYBENZENE | Z56756182 | DTXSID501016699 | Tetrabromobisphenol S-dimethyl et

Spezifikationen & Reinheit

≥95%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln

COC1=C(C=C(C=C1Br)S(=O)(=O)C2=CC(=C(C(=C2)Br)OC)Br)Br

IUPAC Name

1,3-dibromo-5-(3,5-dibromo-4-methoxyphenyl)sulfonyl-2-methoxybenzene

InChIKey

MVCCPHIOCLZPGZ-UHFFFAOYSA-N

INCHI

1S/C14H10Br4O4S/c1-21-13-9(15)3-7(4-10(13)16)23(19,20)8-5-11(17)14(22-2)12(18)6-8/h3-6H,1-2H3

Isomere SMILES

COC1=C(C=C(C=C1Br)S(=O)(=O)C2=CC(=C(C(=C2)Br)OC)Br)Br

PubChem CID

2302732

Molekulargewicht

593.91

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzenesulfonyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzenesulfonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonyl compounds
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Bromobenzenes Alkyl aryl ethers Aryl bromides Sulfones Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonyl group - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl halide - Aryl bromide - Sulfone - Sulfonyl - Ether - Organic oxide - Organosulfur compound - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl group.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 593.900 g/mol
• XLogP3: 5.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 593.699 Da
• Monoisotopic Mass: 589.703 Da
• Topological Polar Surface Area: 61.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 435.000
• 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