Butylchlorodimethylsilane - ≥95% , CAS No.1000-50-6

CAS: 1000-50-6 Cat. No.: B572936 Molecular Weight: 150.72 Beilstein Registry Number: 1732570 EC Number: 423-700-1

GRADE & PURITY ≥95%

Synonyms

1000-50-6|n-Butyldimethylchlorosilane|Silane, butylchlorodimethyl-|Butylchlorodimethylsilane|Butyldimethylchlorosilane|1-butyldimethylchlorosilane|Butyldimethylsilyl chloride|Butyl(chloro)dimethylsilane|n-Butylchlorodimethylsilane|butyl-chloro-dimethylsil

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

1000-50-6 | n-Butyldimethylchlorosilane | Silane, butylchlorodimethyl- | Butylchlorodimethylsilane | Butyldimethylchlorosilane | 1-butyldimethylchlorosilane | Butyldimethylsilyl chloride | Butyl(chloro)dimethylsilane | n-Butylchlorodimethylsilane | butyl-chloro-dimethylsil

Specifications & Purity

≥95%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488183722
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183722
• Canonical Smiles: CCCC[Si](C)(C)Cl
• IUPAC Name: butyl-chloro-dimethylsilane
• InChIKey: MXOSTENCGSDMRE-UHFFFAOYSA-N
• INCHI: 1S/C6H15ClSi/c1-4-5-6-8(2,3)7/h4-6H2,1-3H3
• Isomeric SMILES: CCCC[Si](C)(C)Cl
• WGK Germany: 1
• UN Number: 2985
• Packing Group: II
• Molecular Weight: 150.72
• Beilstein: 1732570
• Reaxy-Rn: 1732573
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1732573&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 Alkylhalosilanes Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trialkylchlorosilane - Silyl monohalide - Organochlorosilane - Organic metalloid salt - Alkylhalosilane - Hydrocarbon derivative - Organic salt - 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: Sensitive to humidity
• Refractive Index: 1.42
• Flash Point(°F): 64.4 °F
• Flash Point(°C): 27°C(lit.)
• Boil Point(°C): 138°C(lit.)
• Molecular Weight: 150.720 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 150.063 Da
• Monoisotopic Mass: 150.063 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 61.500
• 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

XLogP3

References

1. Soumia Cheddah, Zihang Xia, Yan Wang, Chao Yan.  (2023)  Effect of Hydrophobic Moieties on the Assembly of Silica Particles into Colloidal Crystals.  LANGMUIR,      [PMID:37021773] [10.1021/acs.langmuir.2c03155]

2. Wanbin Zhang, Guanghua Zhang, Lun Du, Ce Zhang, Lu Li, Junfeng Zhu, Jing Pei, Jiang Wu.  (2018)  Synthesis of hydroxyl-terminated polybutadiene bearing pendant carboxyl groups by combination of anionic polymerization and blue light photocatalytic thiol-ene reaction and its pH-triggered self-assemble behavior.  REACTIVE & FUNCTIONAL POLYMERS,      [PMID:] [10.1016/j.reactfunctpolym.2018.04.003]