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

CAS: 104-81-4 Cat. No.: M109534 Formula: C₈H₉Br Peso molecolare: 185.06 Beilstein Registry Number: 507389 Numero EC: 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

Sinonimi

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

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

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Purezza

≥98%

Nomi e identificatori

Pubchem Sid

508809664

Pubchem Sid Url

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

Sorrisi canonici

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

Isomeri SMILES

CC1=CC=C(C=C1)CBr

WGK Germania

3

Numero UN

3417

Peso molecolare

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
    • Classe Benzene and substituted derivatives
      • Subclass Benzyl halides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Insoluble in water.
• Sensibilità: Light sensitive；Air sensitive
• Punto di congelamento (°C): 35 °C
• Punto di infiammabilità (°F): 208.4 °F
• Punto di infiammabilità (°C): 97 °C
• Punto di ebollizione (°C): 218-220°C
• Punto di fusione (°C): 33-37°C
• Peso molecolare: 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