1-Butanol（NBA） - Basic-Grade Reagents, for Preparation , CAS No.71-36-3

CAS: 71-36-3 Cat. No.: B433378 Summenformel: C₄H₁₀O Molekulargewicht: 74.12 Beilstein Registry Number: 969148 EG-Nummer: 200-751-6

GRADE & PURITY Basic-Grade Reagents, for Preparation

Synonyms

1-butanol (butyl alcohol) | 1-Butanol, 99.9% | 1-Butanol, ACS reagent, >=99.4% | CCS 203 | n-Butanol, Butan-1-ol, 1-Butanol | n-Butan-1-ol | BIDD:ER0611 | n-Propyl carbinol | Alcool butylique | CAS-71-36-3 | n Butanol | NCGC00090961-02 | NSC 62782 | WB09N

Storage

Room temperature

Shipped In

FedEx DG Service

Übersicht

Product Application:

1-Butanol is used as a mobile phase in High Performance Liquid Chromatography and Liquid Chromatography coupled with Mass Spectrometry.

Specifications

Synonyme

1-butanol (butyl alcohol) | 1-Butanol, 99.9% | 1-Butanol, ACS reagent, >=99.4% | CCS 203 | n-Butanol, Butan-1-ol, 1-Butanol | n-Butan-1-ol | BIDD:ER0611 | n-Propyl carbinol | Alcool butylique | CAS-71-36-3 | n Butanol | NCGC00090961-02 | NSC 62782 | WB09N

Spezifikationen & Reinheit

Basic-Grade Reagents, for Preparation

Storage

Room temperature

Verschickt in

FedEx DG Service

Note

Basic-Grade Reagents, for Preparation

Namen und Kennungen

Pubchem Sid

504750370

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504750370

Kanonisches Lächeln

CCCCO

IUPAC Name

butan-1-ol

InChIKey

LRHPLDYGYMQRHN-UHFFFAOYSA-N

INCHI

1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3

Isomere SMILES

CCCCO

WGK Deutschland

1

RTECS

EO1400000

UN-Nummer

1120

Verpackungsgruppe

III

Molekulargewicht

74.12

Beilstein

969148

Reaxy-Rn

969148

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969148&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Primary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Primary alcohol - Aliphatic acyclic compound
• Beschreibung: 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: a primary alcohol

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

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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Lymphoblastoid cell (5959 Activities)

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

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Tetrahymena pyriformis (68 Activities)

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Oryctolagus cuniculus (11301 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: 66g/L
• Brechungsindex: 1.3993
• Flammpunkt (°F): 95 °F
• Flammpunkt (°C): 36-38℃
• Siedepunkt (°C): 116-118°C
• Schmelzpunkt (°C): -90°C
• Molekulargewicht: 74.120 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 74.0732 Da
• Monoisotopic Mass: 74.0732 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 13.100
• 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