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123016-51-3 molecular structure
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2,3,4,6-tetrafluorobenzoyl chloride

ChemBase ID: 93803
Molecular Formular: C7HClF4O
Molecular Mass: 212.5288528
Monoisotopic Mass: 211.96520521
SMILES and InChIs

SMILES:
O=C(c1c(c(c(cc1F)F)F)F)Cl
Canonical SMILES:
ClC(=O)c1c(F)cc(c(c1F)F)F
InChI:
InChI=1S/C7HClF4O/c8-7(13)4-2(9)1-3(10)5(11)6(4)12/h1H
InChIKey:
UYKQDVFTGGRFEQ-UHFFFAOYSA-N

Cite this record

CBID:93803 http://www.chembase.cn/molecule-93803.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3,4,6-tetrafluorobenzoyl chloride
IUPAC Traditional name
2,3,4,6-tetrafluorobenzoyl chloride
Synonyms
2,3,4,6-Tetrafluorobenzoyl chloride
2,3,4,6-tetrafluorobenzoyl chloride
2,3,4,6-四氟苯甲酰氯
CAS Number
123016-51-3
MDL Number
MFCD03001171
Beilstein Number
6398940
PubChem SID
162080469
PubChem CID
2783276

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2783276 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.734966  LogD (pH = 7.4) 2.734966 
Log P 2.734966  Molar Refractivity 38.0383 cm3
Polarizability 13.569218 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)
Boiling Point
94-97°C/61mm expand Show data source
94-97°C/61mm expand Show data source
Refractive Index
1.4700 expand Show data source
Storage Warning
Corrosive expand Show data source
Moisture Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
UN3265 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
II expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
20-23-26-36/37/39-45-60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Hazard statements
H314-H318 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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