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7397-43-5 molecular structure
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tri-tert-butyl borate

ChemBase ID: 151224
Molecular Formular: C12H27BO3
Molecular Mass: 230.15198
Monoisotopic Mass: 230.20532512
SMILES and InChIs

SMILES:
B(OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C
Canonical SMILES:
CC(OB(OC(C)(C)C)OC(C)(C)C)(C)C
InChI:
InChI=1S/C12H27BO3/c1-10(2,3)14-13(15-11(4,5)6)16-12(7,8)9/h1-9H3
InChIKey:
ZMCWFMOZBTXGKI-UHFFFAOYSA-N

Cite this record

CBID:151224 http://www.chembase.cn/molecule-151224.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tri-tert-butyl borate
IUPAC Traditional name
tri-tert-butyl borate
Synonyms
Boron tert-butoxide
Tri-tert-butoxyborane
Tri-tert-butyl borate
三叔丁氧基硼烷
叔丁醇硼
三叔丁基硼酸酯
CAS Number
7397-43-5
MDL Number
MFCD00009652
PubChem SID
162245381
24854180
PubChem CID
289737

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
236608 external link Add to cart Please log in.
Data Source Data ID
PubChem 289737 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.1765  LogD (pH = 7.4) 4.1765 
Log P 4.1765  Molar Refractivity 62.5575 cm3
Polarizability 26.89286 Å3 Polar Surface Area 27.69 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
liquid expand Show data source
Melting Point
18-19 °C(lit.) expand Show data source
Boiling Point
101 °C/74 mmHg(lit.) expand Show data source
Flash Point
29 °C expand Show data source
84.2 °F expand Show data source
Density
0.811 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.389(lit.) expand Show data source
UN Number
1993 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
10 expand Show data source
Safety Statements
16-33 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H226 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1993 3/PG 3 expand Show data source
Purity
98% expand Show data source
Linear Formula
[(CH3)3CO]3B expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 236608 external link
Packaging
50 g in Sure/Seal™

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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