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762-48-1 molecular structure
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propan-1-ol; trifluoroborane

ChemBase ID: 145804
Molecular Formular: C3H8BF3O
Molecular Mass: 127.9012296
Monoisotopic Mass: 128.06202994
SMILES and InChIs

SMILES:
B(F)(F)F.CCCO
Canonical SMILES:
FB(F)F.CCCO
InChI:
InChI=1S/C3H8O.BF3/c1-2-3-4;2-1(3)4/h4H,2-3H2,1H3;
InChIKey:
RQPQOULISUUGNY-UHFFFAOYSA-N

Cite this record

CBID:145804 http://www.chembase.cn/molecule-145804.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
propan-1-ol; trifluoroborane
IUPAC Traditional name
boron trifluoride; propanol
Synonyms
Boron trifluoride propanol complex
三氟化硼丙醇络合物
CAS Number
762-48-1
MDL Number
MFCD00167015
PubChem SID
24849638
162240006
PubChem CID
16211335

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
156825 external link Add to cart Please log in.
Data Source Data ID
PubChem 16211335 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Polar Surface Area 0.0 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) 0.5525 
LogD (pH = 7.4) 0.5525  Log P 0.5525 
Molar Refractivity 4.5039 cm3 Polarizability 2.6677341 Å3

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
24 °C expand Show data source
75.2 °F expand Show data source
Density
0.905 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.379(lit.) expand Show data source
European Hazard Symbols
Highly toxic Highly toxic (T+) expand Show data source
UN Number
2920 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
1 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
10-14-26-35 expand Show data source
Safety Statements
26-28-36/37/39-45 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H226-H314-H331-H336 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338-P310 expand Show data source
RID/ADR
UN 2920 8/PG 2 expand Show data source
Supplemental Hazard Statements
Reacts violently with water. expand Show data source
Concentration
in excess propanol expand Show data source
Compostion
BF3, 14 wt. % expand Show data source
Linear Formula
BF3 · CH3CH2CH2OH expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 156825 external link
Packaging
100 g in Sure/Seal™

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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