4-Bromo-2-isopropyl-5-methylphenol , CAS No.15062-34-7

CAS: 15062-34-7 Cat. No.: B167446 Formula: C₁₀H₁₃BrO Peso molecolare: 229.11 Numero EC: 109-845-0

Synonyms

Killvermyl | ZSIQWWYOUYOECH-UHFFFAOYSA-N | ZB0531 | 6-Bromothymol | 2-Isopropyl-4-bromo-5-methylphenol | Phenol, 4-bromo-5-methyl-2-(1-methylethyl)- | 4-Bromo-5-methyl-2-(1-methylethyl)phenol | 4-Bromthymol [German] | 4-bromo-2-isopropyl-5-methylphenol |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

Killvermyl | ZSIQWWYOUYOECH-UHFFFAOYSA-N | ZB0531 | 6-Bromothymol | 2-Isopropyl-4-bromo-5-methylphenol | Phenol, 4-bromo-5-methyl-2-(1-methylethyl)- | 4-Bromo-5-methyl-2-(1-methylethyl)phenol | 4-Bromthymol [German] | 4-bromo-2-isopropyl-5-methylphenol |

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Nomi e identificatori

• Sorrisi canonici: CC1=CC(=C(C=C1Br)C(C)C)O
• IUPAC Name: 4-bromo-5-methyl-2-propan-2-ylphenol
• InChIKey: ZSIQWWYOUYOECH-UHFFFAOYSA-N
• INCHI: 1S/C10H13BrO/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6,12H,1-3H3
• Isomeri SMILES: CC1=CC(=C(C=C1Br)C(C)C)O
• Peso molecolare: 229.11
• Reaxy-Rn: 2963062
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2963062&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic monoterpenoids
• Alternative Parents: Monocyclic monoterpenoids Phenylpropanes Cumenes P-bromophenols Meta cresols Toluenes Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Organooxygen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Cumene - Phenylpropane - 4-halophenol - M-cresol - 4-bromophenol - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Halobenzene - Toluene - Phenol - Benzenoid - Monocyclic benzene moiety - Aryl bromide - Aryl halide - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organooxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic 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

Proprietà chimiche e fisiche

• Peso molecolare: 229.110 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 228.015 Da
• Monoisotopic Mass: 228.015 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 147.000
• 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

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 15062-34-7, the molecular formula is C10H13BrO, and the molecular weight is 229.11 g/mol. InChIKey ZSIQWWYOUYOECH-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.