3-(Bromomethyl)phenol - ≥97% , CAS No.74597-04-9

CAS: 74597-04-9 Cat. No.: B590063 Formula: C₇H₇BrO Peso molecolare: 187.03 Numero EC: 849-475-3

GRADE & PURITY ≥97%

Synonyms

DS-17685 | DTXSID20548111 | m-bromomethylphenol | (R)-1-Boc-2-piperidinecarboxaldehyde | 3-[(Bromo)methyl]phenol | 3-bromomethylphenol | 3-bromomethyl-phenol | A865856 | J-510827 | Phenol, 3-(bromomethyl)- | MFCD08234655 | ZCA59704 | AMY22500 | 3-Bromomet

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

DS-17685 | DTXSID20548111 | m-bromomethylphenol | (R)-1-Boc-2-piperidinecarboxaldehyde | 3-[(Bromo)methyl]phenol | 3-bromomethylphenol | 3-bromomethyl-phenol | A865856 | J-510827 | Phenol, 3-(bromomethyl)- | MFCD08234655 | ZCA59704 | AMY22500 | 3-Bromomet

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at -20°C,Argon charged

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%

Nomi e identificatori

• Sorrisi canonici: C1=CC(=CC(=C1)O)CBr
• IUPAC Name: 3-(bromomethyl)phenol
• InChIKey: JHQONOCFAYZOEQ-UHFFFAOYSA-N
• INCHI: 1S/C7H7BrO/c8-5-6-2-1-3-7(9)4-6/h1-4,9H,5H2
• Isomeri SMILES: C1=CC(=CC(=C1)O)CBr
• Peso molecolare: 187.03
• Reaxy-Rn: 4961710
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4961710&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: 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl bromide - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - 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

• Peso molecolare: 187.030 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 185.968 Da
• Monoisotopic Mass: 185.968 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 85.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 74597-04-9, the molecular formula is C7H7BrO, and the molecular weight is 187.03 g/mol. InChIKey JHQONOCFAYZOEQ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.