3-Bromo-1-phenyl-1-propene - ≥98% , CAS No.4392-24-9

CAS: 4392-24-9 Cat. No.: B163067 Molecular Weight: 197.07 Beilstein Registry Number: 605833 EC Number: 224-511-5

GRADE & PURITY ≥98%

Synonyms

(E)-(3-bromoprop-1-enyl)benzene | AKOS015839134 | MFCD00000245 | 3-Bromo-1-phenyl-1-propene, 97% | (3-Bromo-1-propen-1-yl)benzene | AMY13659 | 3-Bromo-1-phenyl propene-1 | [(1E)-3-bromoprop-1-en-1-yl]benzene | EN300-1246893 | NSC78446 | NSC-78446 | PEMPID

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

(E)-(3-bromoprop-1-enyl)benzene | AKOS015839134 | MFCD00000245 | 3-Bromo-1-phenyl-1-propene, 97% | (3-Bromo-1-propen-1-yl)benzene | AMY13659 | 3-Bromo-1-phenyl propene-1 | [(1E)-3-bromoprop-1-en-1-yl]benzene | EN300-1246893 | NSC78446 | NSC-78446 | PEMPID

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504763691
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763691
• Canonical Smiles: C1=CC=C(C=C1)C=CCBr
• IUPAC Name: [(E)-3-bromoprop-1-enyl]benzene
• InChIKey: RUROFEVDCUGKHD-QPJJXVBHSA-N
• INCHI: 1S/C9H9Br/c10-8-4-7-9-5-2-1-3-6-9/h1-7H,8H2/b7-4+
• Isomeric SMILES: C1=CC=C(C=C1)/C=C/CBr
• WGK Germany: 3
• Molecular Weight: 197.07
• Beilstein: 605833
• Reaxy-Rn: 8137477
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8137477&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Styrenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Styrenes
• Alternative Parents: Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Styrene - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety.
• 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: Insoluble in water; Soluble in Methanol
• Sensitivity: Light Sensitive,Heat Sensitive
• Refractive Index: 1.621
• Flash Point(°F): 188.6 °F
• Flash Point(°C): 87 °C
• Boil Point(°C): 107°C/3.8mmHg
• Melt Point(°C): 26-29°C
• Molecular Weight: 197.070 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 195.989 Da
• Monoisotopic Mass: 195.989 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 101.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1