(3-Bromopropyl)trichlorosilane - ≥90% , CAS No.13883-39-1

CAS: 13883-39-1 Cat. No.: B349623 Molecular Weight: 256.43 EC Number: 237-650-1

GRADE & PURITY ≥90%

Synonyms

UNII-V522CH6BQ4 | FT-0604702 | B5679 | SCHEMBL756795 | METHYLE-(DIHYDROFURAN-2-YLIDENE)ACETATE | (3-Bromopropyl)trichlorosilane | (3-Bromopropyl)trichlorosilane, 96% | 3-Bromopropyltrichlorosilane | 3-bromopropyl-trichlorosilane | Silane, (3-bromopropyl)t

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyms

UNII-V522CH6BQ4 | FT-0604702 | B5679 | SCHEMBL756795 | METHYLE-(DIHYDROFURAN-2-YLIDENE)ACETATE | (3-Bromopropyl)trichlorosilane | (3-Bromopropyl)trichlorosilane, 96% | 3-Bromopropyltrichlorosilane | 3-bromopropyl-trichlorosilane | Silane, (3-bromopropyl)t

Specifications & Purity

≥90%

Storage

Room temperature, Desiccated

Shipped In

Normal

Purity

≥90%

Names and Identifiers

• Canonical Smiles: C(C[Si](Cl)(Cl)Cl)CBr
• IUPAC Name: 3-bromopropyl(trichloro)silane
• InChIKey: UUNGBOQAZQUJMZ-UHFFFAOYSA-N
• INCHI: 1S/C3H6BrCl3Si/c4-2-1-3-8(5,6)7/h1-3H2
• Isomeric SMILES: C(C[Si](Cl)(Cl)Cl)CBr
• WGK Germany: 3
• Molecular Weight: 256.43
• Reaxy-Rn: 1737852
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1737852&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organometalloid compounds
      • Subclass Organosilicon compounds
        • Level5 Organoheterosilanes
          • Level6 Organochlorosilanes

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Organoheterosilanes
• Direct Parent: Organochlorosilanes
• Alternative Parents: Organic metalloid salts Alkylhalosilanes Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organochlorosilane - Organic metalloid salt - Alkylhalosilane - Hydrocarbon derivative - Organic salt - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organochlorosilanes. These are organosilicon compounds where the tetravalent silicon atom is linked to one or more chlorine atoms.
• 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

• Flash Point(°F): 168.8 °F
• Flash Point(°C): 76 °C
• Boil Point(°C): 202-204° C (lit.)
• Molecular Weight: 256.420 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 253.849 Da
• Monoisotopic Mass: 253.849 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 62.000
• 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

XLogP3

References

1. Yuan Zhao, Qingrui Yang, Ye Chang, Wei Pang, Hao Zhang, Xuexin Duan.  (2017)  Novel Gas Sensor Arrays Based on High-Q SAM-Modified Piezotransduced Single-Crystal Silicon Bulk Acoustic Resonators.  SENSORS,  17  (7): (1507).  [PMID:28672852] [10.3390/s17071507]

2. Shenguang Ge, Weiyan Liu, Lei Ge, Mei Yan, Jixian Yan, Jiadong Huang, Jinghua Yu.  (2013)  In situ assembly of porous Au-paper electrode and functionalization of magnetic silica nanoparticles with HRP via click chemistry for Microcystin-LR immunoassay.  BIOSENSORS & BIOELECTRONICS,      [PMID:23728196] [10.1016/j.bios.2013.05.010]