3-Bromo-4-methoxybenzotrifluoride - ≥95% , CAS No.402-10-8

CAS: 402-10-8 Cat. No.: B184332 Summenformel: C₈H₆BrF₃O Molekulargewicht: 255 EG-Nummer: 641-156-5

GRADE & PURITY ≥95%

Synonyms

AKOS015956520 | SY067598 | SCHEMBL1094342 | 2-bromo-4-(trifluoromethyl)anisole | s11381 | 2-Bromo-1-methoxy-4-trifluoromethylbenzene | 2-bromo-1-methoxy-4-trifluoromethyl-benzene | 2-bromo-1-methoxy-4-(trifluoromethyl)benzene | TS-00815 | 3-Bromo-4-methox

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

AKOS015956520 | SY067598 | SCHEMBL1094342 | 2-bromo-4-(trifluoromethyl)anisole | s11381 | 2-Bromo-1-methoxy-4-trifluoromethylbenzene | 2-bromo-1-methoxy-4-trifluoromethyl-benzene | 2-bromo-1-methoxy-4-(trifluoromethyl)benzene | TS-00815 | 3-Bromo-4-methox

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 488193051
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488193051
• Kanonisches Lächeln: COC1=C(C=C(C=C1)C(F)(F)F)Br
• IUPAC Name: 2-bromo-1-methoxy-4-(trifluoromethyl)benzene
• InChIKey: OWUAHASLKZBQTD-UHFFFAOYSA-N
• INCHI: 1S/C8H6BrF3O/c1-13-7-3-2-5(4-6(7)9)8(10,11)12/h2-4H,1H3
• Isomere SMILES: COC1=C(C=C(C=C1)C(F)(F)F)Br
• Molekulargewicht: 255
• Reaxy-Rn: 3262829
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3262829&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Trifluoromethylbenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trifluoromethylbenzenes
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Bromobenzenes Alkyl aryl ethers Aryl bromides Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trifluoromethylbenzene - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Ether - Organofluoride - Organooxygen compound - Alkyl fluoride - Organic oxygen compound - Hydrocarbon derivative - Alkyl halide - Organohalogen compound - Organobromide - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
• 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: 255.030 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 253.955 Da
• Monoisotopic Mass: 253.955 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 171.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 402-10-8, the molecular formula is C8H6BrF3O, and the molecular weight is 255 g/mol. InChIKey OWUAHASLKZBQTD-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.