Silane,[[1-(chloromethyl)ethenyl]oxy]trimethyl- structure

3D Mol Similar

Silane,[[1-(chloromethyl)ethenyl]oxy]trimethyl-

: Iupac Name：3-chloroprop-1-en-2-yloxy(trimethyl)silane; CAS No.: 76634-95-2; Molecular Weight：164.7; Modify Date.: 2022-11-24 02:21

Request For Quotation

1. Names and Identifiers

: 1.1 Name; Silane,[[1-(chloromethyl)ethenyl]oxy]trimethyl-; 1.2 Synonyms; [(3-Chloroprop-1-en-2-yl)oxy](trimethyl)silane [(3-CHLOROPROP-1-EN-2-YL)OXY]TRIMETHYLSILANE 3-Chloro-2-(trimethylsiloxy)-1-propene 3-CHLORO-2-TRIMETHYLSILOXYPROPENE 3-CHLORO-2-TRIMETHYLSILYLOXY-1-PROPENE 3-chloroprop-1-en-2-yloxy(trimethyl)silane AKOS006271819 CTK5E3220 DTXSID90503217 Q63398316; View all

1.3 CAS No.: 76634-95-2

1.4 CID: 12578746

1.5 Molecular Formula: C6H13ClOSi (isomer)

1.6 Inchi: InChI=1S/C6H13ClOSi/c1-6(5-7)8-9(2,3)4/h1,5H2,2-4H3

1.7 InChIkey: OHLRLWSRPAPEMZ-UHFFFAOYSA-N

1.8 Canonical Smiles: C[Si](C)(C)OC(=C)CCl

1.9 Isomers Smiles: C[Si](C)(C)OC(=C)CCl

2. Properties

2.1 Density: 0.9±0.1 g/cm3

2.1 Boiling point: 136.9±23.0 °C at 760 mmHg

2.1 Refractive index: 1.422

2.1 Flash Point: 32.5±14.7 °C

2.1 Precise Quality: 164.04200

2.1 PSA: 9.23000

2.1 logP: 2.59040

3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

View all

4. Synthesis Route

76634-95-2Total: 6 Synthesis Route

1833-53-0 33 Suppliers

108709-28-0

82319-13-9

76634-95-2 1 Suppliers

Literatures:
Hambly, G. F.; Chan, T. H. Tetrahedron Letters, 1986 , vol. 27, # 23 p. 2563 - 2566
Yield: ~34%

71482-65-0

76634-95-2 1 Suppliers

Literatures:
Sakurai, Hideki; Shirahata, Akihiro; Araki, Yoshitaka; Hosomi, Akira Tetrahedron Letters, 1980 , vol. 21, p. 2325 - 2328
Yield: null

75-77-4 202 Suppliers

78-95-5

108574-30-7

76634-95-2 1 Suppliers

Literatures:
Poirier, Jean-Marie; Hennequin, Laurent Synthetic Communications, 1985 , vol. 15, # 3 p. 217 - 224
Yield: null

View all

5. Precursor and Product

precursor:

1833-53-0

16029-98-4

128-09-6

71482-65-0

75-77-4

product :

23193-18-2

2550-28-9

583-05-1

59021-31-7

61154-45-8

6651-40-7

62981-80-0

54562-24-2

6. Computational chemical data

Molecular Weight: 164.7g/mol
Molecular Formula: C₆H₁₃ClOSi
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 164.0424193
Monoisotopic Mass: 164.0424193
Complexity: 106
Rotatable Bond Count: 3
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 1
Topological Polar Surface Area: 9.2
Heavy Atom Count: 9
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADccBgIAgEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGhIAAEAACAeAgEBCAAAAAAGAAABCAAAAAAAAAAAAAAAAAQAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==