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354-32-5 molecular structure
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trifluoroacetyl chloride

ChemBase ID: 111470
Molecular Formular: C2ClF3O
Molecular Mass: 132.4690096
Monoisotopic Mass: 131.95897696
SMILES and InChIs

SMILES:
FC(F)(F)C(=O)Cl
Canonical SMILES:
ClC(=O)C(F)(F)F
InChI:
InChI=1S/C2ClF3O/c3-1(7)2(4,5)6
InChIKey:
PNQBEPDZQUOCNY-UHFFFAOYSA-N

Cite this record

CBID:111470 http://www.chembase.cn/molecule-111470.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
trifluoroacetyl chloride
IUPAC Traditional name
trifluoroacetyl chloride
Synonyms
TRIFLUOROACETYL CHLORIDE
Trifluoroacetyl chloride
三氟乙酰氯
CAS Number
354-32-5
EC Number
206-556-2
MDL Number
MFCD00039307
Beilstein Number
1098994
PubChem SID
24858070
162103086
PubChem CID
61106

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 61106 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4423126  LogD (pH = 7.4) 1.4423126 
Log P 1.4423126  Molar Refractivity 17.5124 cm3
Polarizability 6.5641785 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-146 °C(lit.) expand Show data source
-146°C expand Show data source
Boiling Point
-27 °C(lit.) expand Show data source
-27°C expand Show data source
Vapor Density
4.6 (vs air) expand Show data source
RTECS
AO7150000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
UN Number
3057 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
2.3 expand Show data source
Risk Statements
14-35-37 expand Show data source
R:10 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
S:9-16-29 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
H314-H335 expand Show data source
GHS Precautionary statements
P261-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) expand Show data source
RID/ADR
UN 3057 2.3 expand Show data source
Supplemental Hazard Statements
Reacts violently with water. expand Show data source
Purity
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
CF3COCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 300004 external link
Packaging
100, 800 g in Sure-Pac™
Recommended products
Stainless steel hose adapter Z146838 or stainless steel body mini gas regulator Z513547 is recommended.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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