2-Bromophenethyl alcohol - ≥98% , CAS No.1074-16-4

CAS: 1074-16-4 Cat. No.: B102011 Molecular Weight: 201.06 EC Number: 839-968-1

GRADE & PURITY ≥98%

Synonyms

2-bromophenyl ethyl alcohol | SCHEMBL286557 | 2-(2-Bromophenyl)ethanol | 2-(2-bromo-phenyl)-ethanol | EN300-212273 | 2-(2-Bromophenyl)ethyl Alcohol | B3516 | FT-0608437 | MFCD00093566 | STL555963 | SY011299 | F0001-0153 | 2-(2-Bromophenyl)Ethan-1-Ol | BBL

Storage

Protected from light,Room temperature

Shipped In

Normal

Overview

2-Bromophenethyl alcohol is a phenethyl alcohol derivative. It participates in the preparation of novel P-chirogenic phosphines with a sulfur-chelating arm (P*,S-hybrid ligand).

Specifications

Synonyms

2-bromophenyl ethyl alcohol | SCHEMBL286557 | 2-(2-Bromophenyl)ethanol | 2-(2-bromo-phenyl)-ethanol | EN300-212273 | 2-(2-Bromophenyl)ethyl Alcohol | B3516 | FT-0608437 | MFCD00093566 | STL555963 | SY011299 | F0001-0153 | 2-(2-Bromophenyl)Ethan-1-Ol | BBL

Specifications & Purity

≥98%

Storage

Protected from light, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488192481
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192481
• Canonical Smiles: C1=CC=C(C(=C1)CCO)Br
• IUPAC Name: 2-(2-bromophenyl)ethanol
• InChIKey: ADLOWZRDUHSVRU-UHFFFAOYSA-N
• INCHI: 1S/C8H9BrO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,10H,5-6H2
• Isomeric SMILES: C1=CC=C(C(=C1)CCO)Br
• WGK Germany: 3
• Molecular Weight: 201.06
• Reaxy-Rn: 2326445
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2326445&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromobenzenes
• Alternative Parents: Aryl bromides Primary alcohols Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Bromobenzene - Aryl halide - Aryl bromide - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organobromide - Organohalogen compound - Alcohol - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
• 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

• Sensitivity: Light sensitive.
• Refractive Index: 1.577
• Flash Point(°F): >235.4 °F
• Flash Point(°C): 110℃
• Boil Point(°C): 97°C/0.7mmHg
• Molecular Weight: 201.060 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 199.984 Da
• Monoisotopic Mass: 199.984 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 95.300
• 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