(PENTAFLUOROPHENYL)TRIETHOXYSILANE structure

3D Mol Similar

(PENTAFLUOROPHENYL)TRIETHOXYSILANE

: Iupac Name：triethoxy-(2,3,4,5,6-pentafluorophenyl)silane; CAS No.: 20083-34-5; Molecular Weight：330.326; Modify Date.: 2022-11-29 10:21

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1. Names and Identifiers

: 1.1 Name; (PENTAFLUOROPHENYL)TRIETHOXYSILANE; 1.2 Synonyms; (PENTAFLUOROPHENYL)TRIETHOXYSILANE (Pentafluorophenyl)tris(ethoxy)silane (Triethoxysilyl)perfluorobenzene [Tris(ethoxy)silyl]perfluorobenzene AKOS MSC-0208 TRIETHOXY(PENTAFLUOROPHENYL)SILANE triethoxy(perfluorophenyl)silane

1.3 CAS No.: 20083-34-5

1.4 CID: 2782625

1.5 Molecular Formula: C12H15F5O3Si (isomer)

1.6 Inchi: InChI=1S/C12H15F5O3Si/c1-4-18-21(19-5-2,20-6-3)12-10(16)8(14)7(13)9(15)11(12)17/h4-6H2,1-3H3

1.7 InChIkey: QALDFNLNVLQDSP-UHFFFAOYSA-N

1.8 Canonical Smiles: CCO[Si](C1=C(C(=C(C(=C1F)F)F)F)F)(OCC)OCC

1.9 Isomers Smiles: CCO[Si](C1=C(C(=C(C(=C1F)F)F)F)F)(OCC)OCC

2. Properties

2.1 Density: 1.24

2.1 Boiling point: 245.4°Cat760mmHg

2.1 Refractive index: 1.4180

2.1 Flash Point: 102.2°C

2.1 Precise Quality: 330.07100

2.1 PSA: 27.69000

2.1 logP: 2.63750

2.1 Solubility: 几乎不溶 (0.086 g/L) (25 oC),

2.2 Appearance: Colorless to Almost colorless clear liquid

2.3 StorageTemp: 0-10°C

3. Safety and Handling

3.1 Hazard Codes: Xi

3.1 Risk Statements: 36/37/38

3.1 Safety Statements: 26-36/37/39

3.1 Hazard Declaration: H315

3.1 Caution Statement: P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

3.1 WGK Germany: 3

3.1 Safety: Hazard Codes XiRisk Statements 36/37/38Safety Statements 26-36/37/39WGK Germany 3 Hazard Note IrritantTSCA No

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area.
Response	P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.
Storage	P403+P233 Store in a well-ventilated place. Keep container tightly closed. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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5. NMR Spectrum

13C NMR : Predict

1H NMR : Predict

6. Synthesis Route

20083-34-5Total: 4 Synthesis Route

78-10-4 173 Suppliers

344-04-7 170 Suppliers

20083-34-5 13 Suppliers

Literatures:
New Journal of Chemistry, , vol. 27, # 1 p. 166 - 171
Yield: null

78-10-4 173 Suppliers

879-05-0 10 Suppliers

13888-69-2

20083-34-5 13 Suppliers

Literatures:
Journal of Organometallic Chemistry, , vol. 13, p. 125 - 129
Yield: ~53%

64-17-5 396 Suppliers

20083-38-9 2 Suppliers

20083-34-5 13 Suppliers

Literatures:
Journal of Organometallic Chemistry, , vol. 13, p. 125 - 129
Yield: null

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7. Precursor and Product

precursor:

64-17-5

344-04-7

78-10-4

879-05-0

20083-38-9

product :

5272-26-4

344-04-7

363-72-4

20083-38-9

358-60-1

8. Computational chemical data

Molecular Weight: 330.326g/mol
Molecular Formula: C₁₂H₁₅F₅O₃Si
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 330.07106168
Monoisotopic Mass: 330.07106168
Complexity: 292
Rotatable Bond Count: 7
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 8
Topological Polar Surface Area: 27.7
Heavy Atom Count: 21
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: AAADccBwMcgAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGxAAAEAACACgsAoCAIAAAACAAABAAAACAAAgAAAAiAAAAIgIICKAEBCAIAAggAAIiAcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

9. Recommended Suppliers

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Henan Kangqian Medical Technology Co,. Ltd Audited Suppliers

Products:Custom custimization, intermediates, research products, technology transfer
Tel:86-371-86568877

(Pentafluorophenyl)tris(ethoxy)silane

Purity:99%Packing: 200kg/bag FOB
Price: 1 USD/gram
Time: 2018/09/07

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(Pentafluorophenyl)tris(ethoxy)silane 95% [20083-34-5]