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121519-00-4 molecular structure
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5-bromo-2-[(tert-butyldimethylsilyl)oxy]pyrimidine

ChemBase ID: 10026
Molecular Formular: C10H17BrN2OSi
Molecular Mass: 289.24428
Monoisotopic Mass: 288.02935171
SMILES and InChIs

SMILES:
c1(cnc(nc1)O[Si](C)(C)C(C)(C)C)Br
Canonical SMILES:
CC([Si](Oc1ncc(cn1)Br)(C)C)(C)C
InChI:
InChI=1S/C10H17BrN2OSi/c1-10(2,3)15(4,5)14-9-12-6-8(11)7-13-9/h6-7H,1-5H3
InChIKey:
GCALLZMACFTOPD-UHFFFAOYSA-N

Cite this record

CBID:10026 http://www.chembase.cn/molecule-10026.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-2-[(tert-butyldimethylsilyl)oxy]pyrimidine
IUPAC Traditional name
5-bromo-2-[(tert-butyldimethylsilyl)oxy]pyrimidine
Synonyms
5-Bromo-2-(tert-butyldimethylsiloxy)pyrimidine
5-Bromo-2-tert-butyldimethylsilyloxy-pyrimidine
5-Bromo-2-tert-butyldimethylsilyloxypyrimidine
5-BROMO-2-(TERT-BUTYLDIMETHYLSILYLOXY)PYRIMIDINE
5-溴-2-(叔丁基二甲基硅氧基)嘧啶
CAS Number
121519-00-4
MDL Number
MFCD01318957
PubChem SID
24881667
160973333
PubChem CID
2735538

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.3187969  LogD (pH = 7.4) 3.3188 
Log P 3.3188  Molar Refractivity 62.1201 cm3
Polarizability 26.04273 Å3 Polar Surface Area 35.01 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
>110 °C expand Show data source
>230 °F expand Show data source
Refractive Index
n20/D 1.509(lit.) expand Show data source
Storage Warning
Irritant expand Show data source
IRRITANT, AIR SENSITIVE, MOISTURE SENSITIVE expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C10H17BrN2OSi expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 597066 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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