3-Hydroxypropionitrile - ≥98% , CAS No.109-78-4

CAS: 109-78-4 Cat. No.: H109415 Peso molecular: 71.08 Beilstein Registry Number: 635773 Número EC: 203-704-8

GRADE & PURITY ≥98%

Synonyms

3-Hydroxypropionitrile, 97% | STK802179 | D77638 | ethylenecyanhydrin | 2-Hydroxycyanoethane | AI3-02152 | 2-Hydroxyethylkyanid [Czech] | 2-Hydroxyethylkyanid | 3-Hydroxypropiononitrile | DTXSID1025433 | .beta.-Cyanoethanol | .beta.-Hydroxypropionitrile |

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

3-Hydroxypropionitrile has been used: · as polar solvent to investigate the orientation of the phospholipid at the surface of the polar solvents by neutral impact collision ion scattering spectroscopy · in solid state composite electrolyte for dye-sensitized solar cells · as a reagent for carboxyl protection in peptide synthesis

Specifications

Sinónimos

3-Hydroxypropionitrile, 97% | STK802179 | D77638 | ethylenecyanhydrin | 2-Hydroxycyanoethane | AI3-02152 | 2-Hydroxyethylkyanid [Czech] | 2-Hydroxyethylkyanid | 3-Hydroxypropiononitrile | DTXSID1025433 | .beta.-Cyanoethanol | .beta.-Hydroxypropionitrile |

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488180649
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180649
• Sonrisas canónicas: C(CO)C#N
• IUPAC Name: 3-hydroxypropanenitrile
• InChIKey: WSGYTJNNHPZFKR-UHFFFAOYSA-N
• INCHI: 1S/C3H5NO/c4-2-1-3-5/h5H,1,3H2
• Isómeros SMILES: C(CO)C#N
• WGK Alemania: 1
• RTECS: MU5250000
• Número ONU: 2810
• Grupo de embalaje: I
• Peso molecular: 71.08
• Beilstein: 635773
• Reaxy-Rn: 635773
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=635773&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Organic cyanides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Organic cyanides
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitriles
• Alternative Parents: Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Nitrile - Carbonitrile - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as nitriles. These are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N.
• 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

Propiedades químicas y físicas

• Solubilidad: Fully miscible in water.
• Sensibilidad: Air & Light & Heat Sensitive
• Índice de refracción: 1.425
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 137°C(lit.)
• Punto de ebullición (°C): 221°C
• Punto de fusión (°C): -46°C
• Peso molecular: 71.080 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 71.0371 Da
• Monoisotopic Mass: 71.0371 Da
• Topological Polar Surface Area: 44.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 51.200
• 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

Referencias

1. Rui Yan, Fangchao Liu, Zhengwen Fu.  (2023)  Revealing the Electrochemistry of All-Solid-State Li-SeS2 Battery via Transmission Electron Microscopy.  Inorganics,  11  (6): (257).  [PMID:] [10.3390/inorganics11060257]

2. Wen Huang, Tianxiong Ju, Ruipeng Li, Yajun Duan, Yanan Duan, Junji Wei, Lei Zhu.  (2022)  High-κ and High-Temperature Dipolar Glass Polymers Based on Sulfonylated and Cyanolated Poly(Arylene Ether)s for Capacitive Energy Storage.  Advanced Electronic Materials,  9  (1): (2200414).  [PMID:] [10.1002/aelm.202200414]

3. Han Hu, Fangchao Liu, Zhongli Shen, Rui Yan, Zhengwen Fu.  (2022)  Amorphous Selenium and Crystalline Selenium Nanorods Graphene Composites as Cathode Materials for All-Solid-State Lithium Selenium Batteries.  ChemistryOpen,  11  (3): (e202100296).  [PMID:35194960] [10.1002/open.202100296]