(3-Bromo-4-methoxyphenyl)methanol - ≥98% , CAS No.38493-59-3

CAS: 38493-59-3 Cat. No.: B588958 Summenformel: C₈H₉BrO₂ Molekulargewicht: 217.06 EG-Nummer: 642-532-1

GRADE & PURITY ≥98%

Synonyms

3-bromo- 4-methoxybenzyl alcohol | A873830 | METHYL2-N-BOC-2-AMINOMETHYL-3-(3-METHOXY-PHENYL)-PROPIONATE | FT-0713220 | SY030170 | SCHEMBL2500053 | 3-Bromo-4-methoxybenzyl alcohol;;3-Bromo-4-methoxybenzyl Alcohol | MFCD01861398 | EN300-207085 | FS-2091 |

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyme

3-bromo- 4-methoxybenzyl alcohol | A873830 | METHYL2-N-BOC-2-AMINOMETHYL-3-(3-METHOXY-PHENYL)-PROPIONATE | FT-0713220 | SY030170 | SCHEMBL2500053 | 3-Bromo-4-methoxybenzyl alcohol;;3-Bromo-4-methoxybenzyl Alcohol | MFCD01861398 | EN300-207085 | FS-2091 |

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Desiccated

Verschickt in

Wet ice

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

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 528758856
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528758856
• Kanonisches Lächeln: COC1=C(C=C(C=C1)CO)Br
• IUPAC Name: (3-bromo-4-methoxyphenyl)methanol
• InChIKey: QOUYJSKYVZRGCV-UHFFFAOYSA-N
• INCHI: 1S/C8H9BrO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4,10H,5H2,1H3
• Isomere SMILES: COC1=C(C=C(C=C1)CO)Br
• Molekulargewicht: 217.06
• Reaxy-Rn: 2441909
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2441909&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzyl alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl alcohols
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Bromobenzenes Alkyl aryl ethers Aryl bromides Primary alcohols Organobromides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Benzyl alcohol - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Ether - Alcohol - Organohalogen compound - Organobromide - Organooxygen compound - Primary alcohol - Aromatic alcohol - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzyl alcohols. These are organic compounds containing the phenylmethanol substructure.
• 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

• Molekulargewicht: 217.060 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 215.979 Da
• Monoisotopic Mass: 215.979 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 119.000
• 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