2,3-Dichloropropionitrile - ≥94% , CAS No.2601-89-0

CAS: 2601-89-0 Cat. No.: D102343 Summenformel: ClCH₂CHClCN Molekulargewicht: 123.96 EG-Nummer: 220-007-4

GRADE & PURITY ≥94%

Synonyms

2,3-Dichloropropionitrile|2,3-Dichloropropanenitrile|2601-89-0|Propanenitrile, 2,3-dichloro-|alpha,beta-Dichloropropionitrile|C3H3Cl2N|2,3-Dichloropropiononitrile|CP 8885|EINECS 220-007-4|2,3-dichloro-propionitrile|2,3-Dichloropropanenitrile #|Propionitri

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

2,3-Dichloropropionitrile | 2,3-Dichloropropanenitrile | 2601-89-0 | Propanenitrile, 2,3-dichloro- | alpha,beta-Dichloropropionitrile | C3H3Cl2N | 2,3-Dichloropropiononitrile | CP 8885 | EINECS 220-007-4 | 2,3-dichloro-propionitrile | 2,3-Dichloropropanenitrile # | Propionitri

Spezifikationen & Reinheit

≥94%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥94%

Namen und Kennungen

Kanonisches Lächeln

C(C(C#N)Cl)Cl

IUPAC Name

2,3-dichloropropanenitrile

InChIKey

RJJDLPQZNANQDQ-UHFFFAOYSA-N

INCHI

1S/C3H3Cl2N/c4-1-3(5)2-6/h3H,1H2

Isomere SMILES

C(C(C#N)Cl)Cl

UN-Nummer

3276

Molekulargewicht

123.96

Reaxy-Rn

605521

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605521&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: Organonitrogen compounds
• Subclass: Organic cyanides
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitriles
• Alternative Parents: Organopnictogen compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Siedepunkt (°C): 62-63°C
• Molekulargewicht: 123.970 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 122.964 Da
• Monoisotopic Mass: 122.964 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 72.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥94% purity (chemical assay). 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 2601-89-0, the molecular formula is C3H3Cl2N, and the molecular weight is 123.96 g/mol. InChIKey RJJDLPQZNANQDQ-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.