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2-ALLYLPHENYL 4-PIPERIDINYL ETHER structure
2-ALLYLPHENYL 4-PIPERIDINYL ETHER structure

2-ALLYLPHENYL 4-PIPERIDINYL ETHER

Iupac Name:tert-butyl-chloro-dimethylsilane
CAS No.:18162-48-6
Molecular Weight:150.7218
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

5. Computational chemical data
  • Molecular Weight:150.7218g/mol
  • Molecular Formula:C10H14FNO2
  • 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
  • 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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