Home > Compound List > Compound details
1017779-75-7 molecular structure
click picture or here to close

2,3,6-trifluorobenzene-1-sulfonyl chloride

ChemBase ID: 54670
Molecular Formular: C6H2ClF3O2S
Molecular Mass: 230.5920896
Monoisotopic Mass: 229.94161264
SMILES and InChIs

SMILES:
c1(c(c(ccc1F)F)F)S(=O)(=O)Cl
Canonical SMILES:
Fc1ccc(c(c1F)S(=O)(=O)Cl)F
InChI:
InChI=1S/C6H2ClF3O2S/c7-13(11,12)6-4(9)2-1-3(8)5(6)10/h1-2H
InChIKey:
IFFKHMGJJCDTJL-UHFFFAOYSA-N

Cite this record

CBID:54670 http://www.chembase.cn/molecule-54670.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3,6-trifluorobenzene-1-sulfonyl chloride
IUPAC Traditional name
2,3,6-trifluorobenzenesulfonyl chloride
Synonyms
2,3,6-Trifluorobenzenesulfonyl chloride
2,3,6-Trifluorobenzenesulphonyl chloride
2,3,6-Trifluorobenzenesulfonyl chloride
2,3,6-三氟苯磺酰氯
CAS Number
1017779-75-7
MDL Number
MFCD09832391
PubChem SID
162059433
PubChem CID
22288636

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 22288636 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.3476546  LogD (pH = 7.4) 2.3476546 
Log P 2.3476546  Molar Refractivity 40.9014 cm3
Polarizability 16.011229 Å3 Polar Surface Area 34.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
66-68°C/0.1mm expand Show data source
Storage Warning
Corrosive/Harmful/Moisture Sensitive/Store under Argon expand Show data source
Moisture Sensitive expand Show data source
MOISTURE SENSITIVE, CORROSIVE expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
UN3265 expand Show data source
MSDS Link
Download 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
26-36/37/39-45 expand Show data source
TSCA Listed
false expand Show data source
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
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle