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2802-68-8 molecular structure
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methanol; trifluoroborane

ChemBase ID: 130586
Molecular Formular: CH4BF3O
Molecular Mass: 99.8480696
Monoisotopic Mass: 100.03072981
SMILES and InChIs

SMILES:
B(F)(F)F.CO
Canonical SMILES:
FB(F)F.OC
InChI:
InChI=1S/CH4O.BF3/c1-2;2-1(3)4/h2H,1H3;
InChIKey:
JBXYCUKPDAAYAS-UHFFFAOYSA-N

Cite this record

CBID:130586 http://www.chembase.cn/molecule-130586.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methanol; trifluoroborane
IUPAC Traditional name
boron trifluoride; methanol
Synonyms
Boron trifluoride-methanol solution
Boron trifluoride-methanol solution
Boron trifluoride methanol complex solution
三氟化硼-甲醇 溶液
Boron trifluoride-methanol solution
三氟化硼-甲醇络合物 溶液
CAS Number
2802-68-8
373-57-9
EC Number
206-766-4
MDL Number
MFCD00071635
Beilstein Number
3611499
3693581
PubChem SID
24874807
24848188
24891572
24849659
24849660
162224864
PubChem CID
11062313

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
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 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
59 °C/4 mmHg expand Show data source
Flash Point
11 °C expand Show data source
16 °C expand Show data source
51.8 °F expand Show data source
60.8 °F expand Show data source
Auto Ignition Point
788 °F expand Show data source
Density
0.859 g/mL at 20 °C expand Show data source
0.859 g/mL at 25 °C expand Show data source
0.86 g/mL at 20 °C expand Show data source
0.868 g/mL at 25 °C expand Show data source
1.203 g/mL at 25 °C expand Show data source
Refractive Index
n20/D 1.328 expand Show data source
Vapor Pressure
19.5 mmHg ( 20 °C) expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Toxic Toxic (T) expand Show data source
Highly toxic Highly toxic (T+) expand Show data source
UN Number
3286 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
11-14-24/25-26-35-39/23/24/25 expand Show data source
11-20/22-34-48/23 expand Show data source
11-23/24/25-34-39/23/24/25-48/23 expand Show data source
Safety Statements
16-26-28-36/37/39-45 expand Show data source
16-26-36/37/39-45 expand Show data source
23-26-36/37/39-45 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS06 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H301 + H311 + H331-H314-H370-H372 expand Show data source
H225-H301-H311-H314-H331-H370 expand Show data source
H225-H302-H314-H332-H372 expand Show data source
GHS Precautionary statements
P210-P260-P280-P301 + P310-P305 + P351 + P338-P310 expand Show data source
P210-P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 3286 3/PG 2 expand Show data source
Supplemental Hazard Statements
Reacts violently with water. expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
13-15% BF3 basis expand Show data source
Concentration
~10% (~1.3 M) expand Show data source
~51% boron trifluoride expand Show data source
~68% boron trifluoride expand Show data source
14% in methanol expand Show data source
50% w/w in methanol expand Show data source
in excess methanol expand Show data source
Grade
CP expand Show data source
for GC derivatization expand Show data source
for synthesis expand Show data source
Compostion
BF3, 12 wt. % expand Show data source
Derivatization reagent for
Esterifications expand Show data source
Linear Formula
BF3 · 2CH3OH expand Show data source
BF3 · MeOH expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - B1127 external link
Caution
密封安瓿瓶包装可显著延长保质期。
包装
密封安瓿瓶包装。
Sigma Aldrich - 134821 external link
Packaging
1 L in glass bottle
50, 250 mL in glass bottle
4×25 mL in Sure/Seal™
Application
Reagent for the GC analysis of ritalinic acid.1 Alternative to Cl2CHCO2H for synthesis of purine rich oligomers.2Lewis acid used in the preparation of geminal bis-peroxides from ketals and enol ethers with t-butyl hydroperoxide.3 Reagent used for the mild deacetylation of amines.4
Sigma Aldrich - B1252 external link
包装
1 L in glass bottle
5, 100, 250, 500 mL in glass bottle
螺纹盖瓶装。
Sigma Aldrich - 15716 external link
Other Notes
Reagent for esterifying fatty acid for gas chromatographic analysis1

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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