(3-Cyanopropyl)dimethylchlorosilane - ≥95%(GC) , CAS No.18156-15-5

CAS: 18156-15-5 Cat. No.: C153520 Molecular Weight: 161.71 EC Number: 242-039-8

GRADE & PURITY ≥95%(GC)

Synonyms

diphenol derivative, 10 | DTXSID5066324 | Chlorocyanopropyldimethylsilane | 4-[chloranyl(dimethyl)silyl]butanenitrile | EINECS 242-039-8 | I11044 | Butanenitrile, 4-(chlorodimethylsilyl)- | [1,1'-Binaphthalene]-2,2'-diamine, N,N'-dimethyl | 3-Cyanopropyld

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

diphenol derivative, 10 | DTXSID5066324 | Chlorocyanopropyldimethylsilane | 4-[chloranyl(dimethyl)silyl]butanenitrile | EINECS 242-039-8 | I11044 | Butanenitrile, 4-(chlorodimethylsilyl)- | [1, 1'-Binaphthalene]-2, 2'-diamine, N, N'-dimethyl | 3-Cyanopropyld

Specifications & Purity

≥95%(GC)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%(GC)

Names and Identifiers

• Canonical Smiles: C[Si](C)(CCCC#N)Cl
• IUPAC Name: 4-[chloro(dimethyl)silyl]butanenitrile
• InChIKey: GPIARXZSVWTOMD-UHFFFAOYSA-N
• INCHI: 1S/C6H12ClNSi/c1-9(2,7)6-4-3-5-8/h3-4,6H2,1-2H3
• Isomeric SMILES: C[Si](C)(CCCC#N)Cl
• Molecular Weight: 161.71
• Reaxy-Rn: 2235062
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2235062&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organometalloid compounds
      • Subclass Organosilicon compounds
        • Level5 Organoheterosilanes
          • Level6 Trialkylheterosilanes
            • Level7 Trialkylchlorosilanes

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Organoheterosilanes - Trialkylheterosilanes
• Direct Parent: Trialkylchlorosilanes
• Alternative Parents: Silyl monohalides Organochlorosilanes Organic metalloid salts Nitriles Alkylhalosilanes Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trialkylchlorosilane - Silyl monohalide - Organochlorosilane - Organic metalloid salt - Alkylhalosilane - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as trialkylchlorosilanes. These are organoheterosilanes, bearing a silicon atom linked to three alkyl groups and one chlorine atom.
• 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Refractive Index: 1.445
• Flash Point(°F): 185°F
• Flash Point(°C): 85 ℃
• Boil Point(°C): 109 °C/15 mmHg
• Molecular Weight: 161.700 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 161.043 Da
• Monoisotopic Mass: 161.043 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 124.000
• 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

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