Home > Compound List > Compound details
207742-80-1 molecular structure
click picture or here to close

tributyl (10B)borate

ChemBase ID: 136991
Molecular Formular: C12H27BO3
Molecular Mass: 229.353917
Monoisotopic Mass: 229.20895672
SMILES and InChIs

SMILES:
[10B](OCCCC)(OCCCC)OCCCC
Canonical SMILES:
CCCCO[10B](OCCCC)OCCCC
InChI:
InChI=1S/C12H27BO3/c1-4-7-10-14-13(15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3/i13-1
InChIKey:
LGQXXHMEBUOXRP-HSGWXFLFSA-N

Cite this record

CBID:136991 http://www.chembase.cn/molecule-136991.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tributyl (10B)borate
IUPAC Traditional name
tributyl (10B)borate
Synonyms
Tributoxyborane-10B
Tributyl borate-10B
硼酸三丁酯-10B
CAS Number
207742-80-1
MDL Number
MFCD00192511
PubChem SID
162231257
24866772
PubChem CID
16212785

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
427640 external link Add to cart Please log in.
Data Source Data ID
PubChem 16212785 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.2973  LogD (pH = 7.4) 5.2973 
Log P 5.2973  Molar Refractivity 62.7615 cm3
Polarizability 26.89286 Å3 Polar Surface Area 27.69 Å2
Rotatable Bonds 12  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-70 °C(lit.) expand Show data source
Boiling Point
230-235 °C(lit.) expand Show data source
Flash Point
199.4 °F expand Show data source
93 °C expand Show data source
Density
0.85 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.408(lit.) expand Show data source
Mass Shift
M-1 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
20/21/22-36/37/38 expand Show data source
Safety Statements
26-36/37/39 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H312-H315-H319-H332-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 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
Isotopic Purity
98 atom % 10B expand Show data source
Linear Formula
[CH3(CH2)3O]310B expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 427640 external link
Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle