3-Bromo-1-propanol - ≥93%(GC) , CAS No.627-18-9

CAS: 627-18-9 Cat. No.: B140136 Fórmula: C₃H₇BrO Peso molecular: 138.99 Beilstein Registry Number: 969160 Número EC: 210-986-6

GRADE & PURITY ≥93%(GC)

Synonyms

3-Bromo-1-propanol, 97% | CHEBI:144333 | SB37999 | 3-bromopropane-1-ol | 3-Bromo-1-propanol | J-512126 | NCGC00091086-01 | STL371946 | 3-Bromopropanol-(1) | 3T4AXH68FH | BP-31189 | 3-bromanylpropan-1-ol | 3-bromo-propan-1-ol | 3-Bromopropan-1-ol | 3-bromo

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

3-Bromo-1-propanol, 97% | CHEBI:144333 | SB37999 | 3-bromopropane-1-ol | 3-Bromo-1-propanol | J-512126 | NCGC00091086-01 | STL371946 | 3-Bromopropanol-(1) | 3T4AXH68FH | BP-31189 | 3-bromanylpropan-1-ol | 3-bromo-propan-1-ol | 3-Bromopropan-1-ol | 3-bromo

Especificaciones y pureza

≥93%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥93%(GC)

Nombres e identificadores

Pubchem Sid

504752302

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752302

Sonrisas canónicas

C(CO)CBr

IUPAC Name

3-bromopropan-1-ol

InChIKey

RQFUZUMFPRMVDX-UHFFFAOYSA-N

INCHI

1S/C3H7BrO/c4-2-1-3-5/h5H,1-3H2

Isómeros SMILES

C(CO)CBr

WGK Alemania

3

RTECS

UA7385000

Peso molecular

138.99

Beilstein

969160

Reaxy-Rn

969160

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969160&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Primary alcohols
• Alternative Parents: Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Primary alcohol - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl).
• 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

Objetivos asociados (humanos)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Lymphoblastoid cell (5959 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Salmonella typhimurium (15756 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Light Sensitive
• Índice de refracción: 1.488
• Punto de inflamación (°F): 213.8 °F
• Punto de inflamación (°C): 102 °C
• Punto de ebullición (°C): 140°C
• Peso molecular: 138.990 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 137.968 Da
• Monoisotopic Mass: 137.968 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 16.400
• 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

How should this product be stored?

Store at room temperature.

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

This product is supplied at ≥93% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

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 627-18-9, the molecular formula is C3H7BrO, and the molecular weight is 138.99 g/mol. InChIKey RQFUZUMFPRMVDX-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.