2-ALLYLPHENYL 4-PIPERIDINYL ETHER structure

3D Mol Similar

2-ALLYLPHENYL 4-PIPERIDINYL ETHER

Iupac Name：tert-butyl-chloro-dimethylsilane

CAS No.：18162-48-6

Molecular Weight：150.7218

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1. Names and Identifiers

1.1 Name: 2-ALLYLPHENYL 4-PIPERIDINYL ETHER
1.2 Synonyms: 4-(2-prop-2-enylphenoxy)piperidine

1.3 CAS No.: 18162-48-6

1.4 CID: 28928

1.5 Molecular Formula: C₁₀H₁₄FNO₂ (isomer)

1.6 Inchi: InChI=1S/C6H15ClSi/c1-6(2,3)8(4,5)7/h1-5H3

1.7 InChkey: BCNZYOJHNLTNEZ-UHFFFAOYSA-N

1.8 Canonical Smiles: CC(C)(C)[Si](C)(C)Cl

1.9 Isomers Smiles: CC(C)(C)[Si](C)(C)Cl

2. Properties

3.1 Melting point: 85-91℃

3.1 Refractive index: n20/D 1.46

3.1 Flash Point: 159.6±27.9 °C

3.1 Vapour pressure: 12.089mmHg at 25°C

3.1 Precise Quality: 150.06300

3.1 PSA: 0.00000

3.1 logP: 3.23040

3. Safety and Handling

4.1 Symbol: GHS02;GHS05;

4.1 Signal Word: DANGER

4.1 Risk Statements: R10;R34

4.1 Safety Statements: S16;S25;S36/37/39;S45

4.1 Packing Group: III

4.1 Hazard Class: 4.1

4.1 Hazard Declaration: H228; H314

4.1 RIDADR: UN 2925 4.1/PG 2

4.1 Caution Statement: P210-P261-P280-P301 + P310-P305 + P351 + P338-P310

4.1 WGK Germany: 2

4.1 RTECS: VV2000000

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)	No symbol.
Signal word	No signal word.
Hazard statement(s)	none
Precautionary statement(s)
Prevention	none
Response	none
Storage	none
Disposal	none

2.3 Other hazards which do not result in classification

none

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5. Computational chemical data

Molecular Weight：150.7218g/mol
Molecular Formula：C_₁₀H_₁₄FNO_₂
Compound Is Canonicalized：True
XLogP3-AA：
Exact Mass：150.0631547
Monoisotopic Mass：150.0631547
Complexity：81
Rotatable Bond Count：1
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：0
Topological Polar Surface Area：0
Heavy Atom Count：8
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

6. Question & Answer

What is tert-Butyldimethylsilyl chloride? Feb 10 2020
Introduction Triethylchlorosilane is a silyl chloride consisting of a central silicon atom covalently bound to one chloro, one tert-butyl and two methyl groups. It is a silane containing two methyl groups, a tert-butyl group, and a reactive chloride. tert-Butyldimethylsilyl chloride is a derivatisa...

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