2-Bromo-3-methoxyphenol - ≥97% , CAS No.135999-16-5

CAS: 135999-16-5 Cat. No.: B167079 Summenformel: C₇H₇BrO₂ Molekulargewicht: 203.03 EG-Nummer: 802-900-6

GRADE & PURITY ≥97%

Synonyms

MB06929 | 2-Bromo-3-methoxyphenol | MFCD09056758 | SY067831 | BCP31085 | DS-16163 | DTXSID20567827 | s10871 | Phenol, 2-bromo-3-methoxy- | FT-0655237 | SCHEMBL5987347 | FT-0683964 | BBL102885 | 2-Bromo-3-methoxyphenol, 97% (GC) | GCFJMEJVRHBPJI-UHFFFAOYSA

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

MB06929 | 2-Bromo-3-methoxyphenol | MFCD09056758 | SY067831 | BCP31085 | DS-16163 | DTXSID20567827 | s10871 | Phenol, 2-bromo-3-methoxy- | FT-0655237 | SCHEMBL5987347 | FT-0683964 | BBL102885 | 2-Bromo-3-methoxyphenol, 97% (GC) | GCFJMEJVRHBPJI-UHFFFAOYSA

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

488198800

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488198800

Kanonisches Lächeln

COC1=CC=CC(=C1Br)O

IUPAC Name

2-bromo-3-methoxyphenol

InChIKey

GCFJMEJVRHBPJI-UHFFFAOYSA-N

INCHI

1S/C7H7BrO2/c1-10-6-4-2-3-5(9)7(6)8/h2-4,9H,1H3

Isomere SMILES

COC1=CC=CC(=C1Br)O

Molekulargewicht

203.03

Reaxy-Rn

4799580

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4799580&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Phenoxy compounds O-bromophenols Methoxybenzenes Anisoles Bromobenzenes Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Anisole - 2-halophenol - Phenoxy compound - 2-bromophenol - Phenol ether - Methoxybenzene - Alkyl aryl ether - Halobenzene - Bromobenzene - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Ether - Organooxygen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 74-79 °C
• Molekulargewicht: 203.030 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 201.963 Da
• Monoisotopic Mass: 201.963 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 108.000
• 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

Häufig gestellte Fragen

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 135999-16-5, the molecular formula is C7H7BrO2, and the molecular weight is 203.03 g/mol. InChIKey GCFJMEJVRHBPJI-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.