4-Phenoxybutyl Bromide - ≥96%(GC) , CAS No.1200-03-9

CAS: 1200-03-9 Cat. No.: P160718 Fórmula: C₁₀H₁₃BrO Peso molecular: 229.12 Beilstein Registry Number: 6(4)558 Número CE: 214-849-1 PubChem CID: 70986

GRADE & PURITY ≥96%(GC)

Synonyms

4-phenoxy-1-bromobutane | 4-phenoxy-1-butylbromide | AKOS000343515 | 4-Bromobutyl phenyl ether, 97% | 1-Brom-4-phenoxybutan | EN300-85792 | Benzene, (4-bromobutoxy)- | UNII-934T64RMNJ | MFCD00000262 | SY010804 | (4-Bromobutoxy)benzene | (4-Bromo-butoxy)-b

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

4-phenoxy-1-bromobutane | 4-phenoxy-1-butylbromide | AKOS000343515 | 4-Bromobutyl phenyl ether, 97% | 1-Brom-4-phenoxybutan | EN300-85792 | Benzene, (4-bromobutoxy)- | UNII-934T64RMNJ | MFCD00000262 | SY010804 | (4-Bromobutoxy)benzene | (4-Bromo-butoxy)-b

Especificações e pureza

≥96%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥96%(GC)

Nomes e identificadores

Pubchem Sid

488184627

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184627

Sorrisos canónicos

C1=CC=C(C=C1)OCCCCBr

IUPAC Name

4-bromobutoxybenzene

InChIKey

QBLISOIWPZSVIK-UHFFFAOYSA-N

INCHI

1S/C10H13BrO/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2

SMILES isoméricas

C1=CC=C(C=C1)OCCCCBr

WGK Alemanha

3

PubChem CID

70986

Peso molecular

229.12

Beilstein

6(4)558

Reaxy-Rn

2044374

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Alkyl aryl ethers Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with 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

Propriedades químicas e físicas

• Ponto de inflamação (°F): >235.4 °F
• Ponto de inflamação (°C): >113 °C
• Ponto de ebulição (°C): 156°C/18mmHg(lit.)
• Ponto de fusão (°C): 41 °C
• Peso molecular: 229.110 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 228.015 Da
• Monoisotopic Mass: 228.015 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 100.000
• 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

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥96% 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 1200-03-9, the molecular formula is C10H13BrO, and the molecular weight is 229.12 g/mol. InChIKey QBLISOIWPZSVIK-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.