α-Bromodiphenylmethane - ≥96%(GC) , CAS No.776-74-9

CAS: 776-74-9 Cat. No.: A134025 Molecular Weight: 247.14 Beilstein Registry Number: 5592 EC Number: 212-279-8

GRADE & PURITY ≥96%(GC)

Synonyms

.ALPHA.-PHENYLBENZYL BROMIDE | Q4973730 | AKOS008901412 | diphenyl bromomethane | MFCD00000134 | Ph2CHBr | EN300-174981 | SCHEMBL67123 | DTXSID90870774 | InChI=1/C13H11Br/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13 | J-519945 | 2H-Pyrido[3,2-b]-1,4-o

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

Specifications

Synonyms

.ALPHA.-PHENYLBENZYL BROMIDE | Q4973730 | AKOS008901412 | diphenyl bromomethane | MFCD00000134 | Ph2CHBr | EN300-174981 | SCHEMBL67123 | DTXSID90870774 | InChI=1/C13H11Br/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10, 13 | J-519945 | 2H-Pyrido[3, 2-b]-1, 4-o

Specifications & Purity

≥96%(GC)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice, FedEx DG Service

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

Purity

≥96%(GC)

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)C(C2=CC=CC=C2)Br
• IUPAC Name: [bromo(phenyl)methyl]benzene
• InChIKey: OQROAIRCEOBYJA-UHFFFAOYSA-N
• INCHI: 1S/C13H11Br/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H
• Isomeric SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)Br
• WGK Germany: 3
• RTECS: PA5350000
• UN Number: 1770
• Packing Group: II
• Molecular Weight: 247.14
• Beilstein: 5592
• Reaxy-Rn: 638544
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=638544&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl 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

• Solubility: Soluble in alcohol
• Sensitivity: Moisture sensitive；Light sensitive
• Flash Point(°F): 230°F
• Flash Point(°C): >110 °C
• Boil Point(°C): 193 °C
• Melt Point(°C): 36-41℃
• Molecular Weight: 247.130 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 246.004 Da
• Monoisotopic Mass: 246.004 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 137.000
• 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