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77669-65-9 molecular structure
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(chloromethyl)(methyl)bis(pentafluorophenyl)silane

ChemBase ID: 149307
Molecular Formular: C14H5ClF10Si
Molecular Mass: 426.712032
Monoisotopic Mass: 425.96893657
SMILES and InChIs

SMILES:
C[Si](CCl)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
Canonical SMILES:
ClC[Si](c1c(F)c(F)c(c(c1F)F)F)(c1c(F)c(F)c(c(c1F)F)F)C
InChI:
InChI=1S/C14H5ClF10Si/c1-26(2-15,13-9(22)5(18)3(16)6(19)10(13)23)14-11(24)7(20)4(17)8(21)12(14)25/h2H2,1H3
InChIKey:
SGWKGYURKBQGIC-UHFFFAOYSA-N

Cite this record

CBID:149307 http://www.chembase.cn/molecule-149307.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(chloromethyl)(methyl)bis(pentafluorophenyl)silane
IUPAC Traditional name
(chloromethyl)(methyl)bis(pentafluorophenyl)silane
Synonyms
(Chloromethyl)methylbis(pentafluorophenyl)silane
(甲基氯)甲基双(五氟苯基)硅烷
CAS Number
77669-65-9
MDL Number
MFCD00191925
PubChem SID
162243475
PubChem CID
4193576

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
388769 external link Add to cart Please log in.
Data Source Data ID
PubChem 4193576 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 7.1704  LogD (pH = 7.4) 7.1704 
Log P 7.1704  Molar Refractivity 68.698 cm3
Polarizability 26.809284 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
>113 °C expand Show data source
>235.4 °F expand Show data source
Density
1.613 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.48(lit.) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Purity
95% expand Show data source
Linear Formula
CH3Si(C6F5)2CH2Cl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 388769 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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