(R)-(+)-4-Chloro-3-hydroxybutyronitrile - ≥97% , CAS No.84367-31-7

CAS: 84367-31-7 Cat. No.: C123021 Formula: C₄H₆ClNO Peso molecolare: 119.55 Beilstein Registry Number: 1700586 Numero EC: 624-620-1

GRADE & PURITY ≥97%

Synonyms

AKOS015848710 | C2763 | (R)-(+)-4-chloro 3-hydroxybutyronitrile | (R)-4-Chloro-3-hydroxybutyronitrile | (R)-4-Chloro-3-hydroxy-butyronitrile | SCHEMBL2709596 | (R)-4-chloro-3-hydroxybutanenitrile | MFCD00273362 | F20410 | (R)-(+)-4-Chloro-3-hydroxybutyron

Storage

Argon charged,Room temperature

Shipped In

Normal

Panoramica

(-)-Carnitine and (-)-γ-amino-β-hydroxybuty?ric acid have been prepared using this synthon

Specifications

Sinonimi

AKOS015848710 | C2763 | (R)-(+)-4-chloro 3-hydroxybutyronitrile | (R)-4-Chloro-3-hydroxybutyronitrile | (R)-4-Chloro-3-hydroxy-butyronitrile | SCHEMBL2709596 | (R)-4-chloro-3-hydroxybutanenitrile | MFCD00273362 | F20410 | (R)-(+)-4-Chloro-3-hydroxybutyron

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 488190913
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190913
• Sorrisi canonici: C(C#N)C(CCl)O
• IUPAC Name: (3R)-4-chloro-3-hydroxybutanenitrile
• InChIKey: LHBPNZDUNCZWFL-SCSAIBSYSA-N
• INCHI: 1S/C4H6ClNO/c5-3-4(7)1-2-6/h4,7H,1,3H2/t4-/m1/s1
• Isomeri SMILES: C(C#N)[C@H](CCl)O
• WGK Germania: 3
• Peso molecolare: 119.55
• Beilstein: 1700586
• Reaxy-Rn: 1700586
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1700586&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Classe Halohydrins
      • Subclass Chlorohydrins

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: Halohydrins
• Subclass: Chlorohydrins
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorohydrins
• Alternative Parents: Secondary alcohols Nitriles Organopnictogen compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - Chlorohydrin - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Alkyl halide - Alkyl chloride - Alcohol - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as chlorohydrins. These are alcohols substituted by a chlorine atom at a saturated carbon atom otherwise bearing only hydrogen or hydrocarbyl groups.
• 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

• Sensibilità: Moisture sensitive
• Indice di rifrazione: 1.474
• Rotazione specifica [α]: +11.0°,neat
• Punto di infiammabilità (°F): 235.4 °F
• Punto di infiammabilità (°C): 113 °C
• Punto di ebollizione (°C): 110°C/1mmHg
• Peso molecolare: 119.550 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 119.014 Da
• Monoisotopic Mass: 119.014 Da
• Topological Polar Surface Area: 44.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 84.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 84367-31-7, the molecular formula is C4H6ClNO, and the molecular weight is 119.55 g/mol. InChIKey LHBPNZDUNCZWFL-SCSAIBSYSA-N.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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.