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75-23-0 molecular structure
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ethanamine; trifluoroborane

ChemBase ID: 107168
Molecular Formular: C2H7BF3N
Molecular Mass: 112.8898896
Monoisotopic Mass: 113.06236429
SMILES and InChIs

SMILES:
CCN.FB(F)F
Canonical SMILES:
FB(F)F.CCN
InChI:
InChI=1S/C2H7N.BF3/c1-2-3;2-1(3)4/h2-3H2,1H3;
InChIKey:
JDVIRCVIXCMTPU-UHFFFAOYSA-N

Cite this record

CBID:107168 http://www.chembase.cn/molecule-107168.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethanamine; trifluoroborane
IUPAC Traditional name
boron trifluoride; ethylamine
Synonyms
CARBON TERAFLUORIDE (TCYL)
Boron trifluoride-ethylamine complex
Boron trifluoride ethylamine complex
三氟化硼乙胺络合物
CAS Number
75-23-0
EC Number
200-852-5
MDL Number
MFCD00144277
Beilstein Number
3672802
PubChem SID
24849669
24857571
162093007
PubChem CID
6355

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 6355 external link

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)
Melting Point
85-89 °C(lit.) expand Show data source
ca 85°C expand Show data source
Flash Point
157 °C expand Show data source
157°C(314°F) expand Show data source
314.6 °F expand Show data source
Density
1.380 expand Show data source
Storage Warning
Moisture Sensitive expand Show data source
RTECS
KQ8060000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
X expand Show data source
UN Number
3261 expand Show data source
UN2811 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
8 expand Show data source
Packing Group
2 expand Show data source
III expand Show data source
Risk Statements
22-36/37/38 expand Show data source
34 expand Show data source
Safety Statements
26-36/37 expand Show data source
26-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H315-H319-H335 expand Show data source
H314 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 3261 8/PG 2 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥95% (T) expand Show data source
95% expand Show data source
Grade
technical expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
BF3 · C2H5NH2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05202814 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 292249 external link
Packaging
100, 500 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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