4-Bromo-3,5-dichlorobenzotrifluoride - ≥97% , CAS No.118754-53-3

CAS: 118754-53-3 Cat. No.: W132759 Molecular Weight: 293.9 EC Number: 623-239-8 PubChem CID: 1268256

GRADE & PURITY ≥97%

Synonyms

1-Bromo-2,6-dichloro-4- trifluoromethylbenzene | AS-33173 | MFCD00221020 | AKOS005254977 | SY026527 | 4-Bromo-3,5-dichlorobenzotrifluoride | DTXSID60361487 | AC-23838 | 2,6-dichloro-4-trifluoromethylbromobenzene | Benzene, 2-bromo-1,3-dichloro-5-(trifluor

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1-Bromo-2, 6-dichloro-4- trifluoromethylbenzene | AS-33173 | MFCD00221020 | AKOS005254977 | SY026527 | 4-Bromo-3, 5-dichlorobenzotrifluoride | DTXSID60361487 | AC-23838 | 2, 6-dichloro-4-trifluoromethylbromobenzene | Benzene, 2-bromo-1, 3-dichloro-5-(trifluor

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504760448
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760448
• Canonical Smiles: C1=C(C=C(C(=C1Cl)Br)Cl)C(F)(F)F
• IUPAC Name: 2-bromo-1,3-dichloro-5-(trifluoromethyl)benzene
• InChIKey: IQHSSYROJYPFDV-UHFFFAOYSA-N
• INCHI: 1S/C7H2BrCl2F3/c8-6-4(9)1-3(2-5(6)10)7(11,12)13/h1-2H
• Isomeric SMILES: C1=C(C=C(C(=C1Cl)Br)Cl)C(F)(F)F
• WGK Germany: 3
• PubChem CID: 1268256
• Molecular Weight: 293.9

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Trifluoromethylbenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trifluoromethylbenzenes
• Alternative Parents: Dichlorobenzenes Bromobenzenes Aryl chlorides Aryl bromides Organofluorides Organochlorides Organobromides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trifluoromethylbenzene - 1,3-dichlorobenzene - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Organofluoride - Hydrocarbon derivative - Alkyl halide - Alkyl fluoride - Organochloride - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Description: 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

Chemical and Physical Properties

• Refractive Index: 1.52
• Flash Point(°F): >230 °F
• Flash Point(°C): >110 °C
• Boil Point(°C): 91-92 °C/10 mmHg
• Molecular Weight: 293.890 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 291.867 Da
• Monoisotopic Mass: 291.867 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 173.000
• 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