4-Methylbenzyl bromide - ≥98% , CAS No.104-81-4

CAS: 104-81-4 Cat. No.: M109534 Summenformel: C₈H₉Br Molekulargewicht: 185.06 Beilstein Registry Number: 507389 EG-Nummer: 203-240-6

GRADE & PURITY ≥98%

Synonyms

4-Methylbenzylbromide | 4-methyl-benzylbromide | EINECS 203-240-6 | p-Xylyl alpha-bromide | .alpha.-Bromo-p-xylene | 4-(methyl)benzyl bromide | FT-0631577 | V2DIK2AP5I | alpha-Bromo-p-xylene | NSC8050 | NSC-8050 | 4methylbenzyl bromide | 4-Methylbenzyl br

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

4-Methylbenzylbromide | 4-methyl-benzylbromide | EINECS 203-240-6 | p-Xylyl alpha-bromide | .alpha.-Bromo-p-xylene | 4-(methyl)benzyl bromide | FT-0631577 | V2DIK2AP5I | alpha-Bromo-p-xylene | NSC8050 | NSC-8050 | 4methylbenzyl bromide | 4-Methylbenzyl br

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

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

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

508809664

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508809664

Kanonisches Lächeln

CC1=CC=C(C=C1)CBr

IUPAC Name

1-(bromomethyl)-4-methylbenzene

InChIKey

WZRKSPFYXUXINF-UHFFFAOYSA-N

INCHI

1S/C8H9Br/c1-7-2-4-8(6-9)5-3-7/h2-5H,6H2,1H3

Isomere SMILES

CC1=CC=C(C=C1)CBr

WGK Deutschland

3

UN-Nummer

3417

Molekulargewicht

185.06

Beilstein

507389

Reaxy-Rn

507389

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=507389&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzyl halides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl bromides
• Alternative Parents: Toluenes Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl bromide - Toluene - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzyl bromides. These are organic compounds containing a benzene skeleton substituted with a bromomethyl 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

• Löslichkeit: Insoluble in water.
• Empfindlichkeit: Light sensitive；Air sensitive
• Gefrierpunkt (°C): 35 °C
• Flammpunkt (°F): 208.4 °F
• Flammpunkt (°C): 97 °C
• Siedepunkt (°C): 218-220°C
• Schmelzpunkt (°C): 33-37°C
• Molekulargewicht: 185.060 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 183.989 Da
• Monoisotopic Mass: 183.989 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 72.600
• 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