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558-21-4 molecular structure
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fluoro(2H3)methane

ChemBase ID: 145562
Molecular Formular: CH3F
Molecular Mass: 34.0329232
Monoisotopic Mass: 34.02187832
SMILES and InChIs

SMILES:
CF
Canonical SMILES:
CF
InChI:
InChI=1S/CH3F/c1-2/h1H3
InChIKey:
NBVXSUQYWXRMNV-UHFFFAOYSA-N

Cite this record

CBID:145562 http://www.chembase.cn/molecule-145562.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
fluoro(2H3)methane
IUPAC Traditional name
fluoro(2H3)methane
Synonyms
Methyl-d3 fluoride
Fluoromethane-d3
甲基氟-d3
氟甲烷-d3
CAS Number
558-21-4
MDL Number
MFCD00084145
PubChem SID
162239767
24872192
PubChem CID
136358

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
486663 external link Add to cart Please log in.
Data Source Data ID
PubChem 136358 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.3725147  LogD (pH = 7.4) 0.3725147 
Log P 0.3725147  Molar Refractivity 6.5692 cm3
Polarizability 2.3919244 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
-141.8 °C(lit.) expand Show data source
Boiling Point
-77.9 °C(lit.) expand Show data source
Vapor Pressure
44.2 atm ( 21.1 °C) expand Show data source
Mass Shift
M+3 expand Show data source
European Hazard Symbols
Highly flammable Highly flammable (F+) expand Show data source
UN Number
2454 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
2.1 expand Show data source
Risk Statements
12 expand Show data source
Safety Statements
9-16 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H220-H280 expand Show data source
GHS Precautionary statements
P210-P410 + P403 expand Show data source
RID/ADR
UN 2454 2.1 expand Show data source
Isotopic Purity
99 atom % D expand Show data source
Mol. Weight
mol wt 37.02 by atom % calculation expand Show data source
Linear Formula
CD3F expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 486663 external link
Packaging
1 L in steel cylinder
Lecture bottle with brass CGA 110/180 valve
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.
Recommended products
Stainless steel control valves Z146951 or Z187224

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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