2-Bromo-1-indanol - ≥98%(GC) , CAS No.5400-80-6

CAS: 5400-80-6 Cat. No.: B152972 Formula: C₉H₉BrO Peso molecolare: 213.07 Numero EC: 226-442-6

GRADE & PURITY ≥98%(GC)

Synonyms

1-Hydroxy-2-bromoindan | J-500431 | rac-(1R,2S)-2-bromo-2,3-dihydro-1H-inden-1-ol, cis | 4E68V72BZA | LJA4M1L5LG | 1-Indanol, 2-bromo- | Indene bromohydrin | AKOS016050383 | MFCD00003798 | STR03672 | trans-2-Bromo-1-indanol | 1H-Inden-1-ol, 2-bromo-2,3-di

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

1-Hydroxy-2-bromoindan | J-500431 | rac-(1R,2S)-2-bromo-2,3-dihydro-1H-inden-1-ol, cis | 4E68V72BZA | LJA4M1L5LG | 1-Indanol, 2-bromo- | Indene bromohydrin | AKOS016050383 | MFCD00003798 | STR03672 | trans-2-Bromo-1-indanol | 1H-Inden-1-ol, 2-bromo-2,3-di

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(GC)

Nomi e identificatori

• Pubchem Sid: 488186911
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186911
• Sorrisi canonici: C1C(C(C2=CC=CC=C21)O)Br
• IUPAC Name: 2-bromo-2,3-dihydro-1H-inden-1-ol
• InChIKey: RTESDSDXFLYAKZ-UHFFFAOYSA-N
• INCHI: 1S/C9H9BrO/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8-9,11H,5H2
• Isomeri SMILES: C1C(C(C2=CC=CC=C21)O)Br
• Peso molecolare: 213.07
• Reaxy-Rn: 2046877
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2046877&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Indanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Indanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanes
• Alternative Parents: Secondary alcohols Bromohydrins Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indane - Secondary alcohol - Halohydrin - Bromohydrin - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Alcohol - Aromatic homopolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene 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

• Punto di fusione (°C): 131 °C
• Peso molecolare: 213.070 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 211.984 Da
• Monoisotopic Mass: 211.984 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 148.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• 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, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). 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 5400-80-6, the molecular formula is C9H9BrO, and the molecular weight is 213.07 g/mol. InChIKey RTESDSDXFLYAKZ-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.