2-(3-Bromophenyl)propan-2-ol - ≥97% , CAS No.30951-66-7

CAS: 30951-66-7 Cat. No.: B169466 Fórmula: C₉H₁₁BrO Peso molecular: 215.09 Número EC: 691-556-9

GRADE & PURITY ≥97%

Synonyms

AC-33592 | 3-(alpha-hydroxyisopropyl)-1-bromobenzene | DS-2069 | J-505764 | 2-3-Bromophenylpropan-2-ol | AM808045 | EN300-97404 | MFCD11870097 | 2-(3-bromophenyl)-2-propanol | Benzenemethanol, 3-bromo-alpha,alpha-dimethyl- | A820664 | AKOS009996947 | SCHE

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AC-33592 | 3-(alpha-hydroxyisopropyl)-1-bromobenzene | DS-2069 | J-505764 | 2-3-Bromophenylpropan-2-ol | AM808045 | EN300-97404 | MFCD11870097 | 2-(3-bromophenyl)-2-propanol | Benzenemethanol, 3-bromo-alpha,alpha-dimethyl- | A820664 | AKOS009996947 | SCHE

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

504767767

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504767767

Sonrisas canónicas

CC(C)(C1=CC(=CC=C1)Br)O

IUPAC Name

2-(3-bromophenyl)propan-2-ol

InChIKey

ZRFMJMFYMQAUDO-UHFFFAOYSA-N

INCHI

1S/C9H11BrO/c1-9(2,11)7-4-3-5-8(10)6-7/h3-6,11H,1-2H3

Isómeros SMILES

CC(C)(C1=CC(=CC=C1)Br)O

Peso molecular

215.09

Reaxy-Rn

2245390

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2245390&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenylpropanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylpropanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanes
• Alternative Parents: Bromobenzenes Aryl bromides Tertiary alcohols Organobromides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Tertiary alcohol - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Organobromide - Organohalogen compound - Alcohol - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane 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

Propiedades químicas y físicas

• Peso molecular: 215.090 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 213.999 Da
• Monoisotopic Mass: 213.999 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 134.000
• 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

Preguntas frecuentes

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 room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 30951-66-7, the molecular formula is C9H11BrO, and the molecular weight is 215.09 g/mol. InChIKey ZRFMJMFYMQAUDO-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.