1-(2-Chlorophenyl)cyclopropanecarbonitrile - ≥95% , CAS No.122143-18-4

CAS: 122143-18-4 Cat. No.: C180410 Formula: C₁₀H₈ClN Peso molecolare: 177.63 Numero EC: 170-975-6

QUALITÀ & PUREZZA ≥95%

Synonyms

FT-0693186 | SY037190 | 1-(2-Chlorophenyl)-cyclopropane-carbon itrile | AB39389 | 1-(2-chlorophenyl)cyclopropane-1-carbonitrile | SCHEMBL4555845 | AKOS011055379 | Cyclopropanecarbonitrile, 1-(2-chlorophenyl)- | DTXSID90437987 | 1-(2-Chlorophenyl)cycloprop

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

FT-0693186 | SY037190 | 1-(2-Chlorophenyl)-cyclopropane-carbon itrile | AB39389 | 1-(2-chlorophenyl)cyclopropane-1-carbonitrile | SCHEMBL4555845 | AKOS011055379 | Cyclopropanecarbonitrile, 1-(2-chlorophenyl)- | DTXSID90437987 | 1-(2-Chlorophenyl)cycloprop

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

Sorrisi canonici

C1CC1(C#N)C2=CC=CC=C2Cl

IUPAC Name

1-(2-chlorophenyl)cyclopropane-1-carbonitrile

InChIKey

QZTBYZDCUXBPLS-UHFFFAOYSA-N

INCHI

1S/C10H8ClN/c11-9-4-2-1-3-8(9)10(7-12)5-6-10/h1-4H,5-6H2

Isomeri SMILES

C1CC1(C#N)C2=CC=CC=C2Cl

Peso molecolare

177.63

Reaxy-Rn

13501628

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13501628&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• Alternative Parents: Aryl chlorides Nitriles Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Chlorobenzene - Aryl halide - Aryl chloride - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
• 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

• Peso molecolare: 177.630 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 177.035 Da
• Monoisotopic Mass: 177.035 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 223.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥95% 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 122143-18-4, the molecular formula is C10H8ClN, and the molecular weight is 177.6 g/mol. InChIKey QZTBYZDCUXBPLS-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.