Home > Compound List > Compound details
103360-04-9 molecular structure
click picture or here to close

(4-fluorophenyl)methanesulfonyl chloride

ChemBase ID: 22217
Molecular Formular: C7H6ClFO2S
Molecular Mass: 208.6377432
Monoisotopic Mass: 207.97610633
SMILES and InChIs

SMILES:
C(c1ccc(cc1)F)S(=O)(=O)Cl
Canonical SMILES:
Fc1ccc(cc1)CS(=O)(=O)Cl
InChI:
InChI=1S/C7H6ClFO2S/c8-12(10,11)5-6-1-3-7(9)4-2-6/h1-4H,5H2
InChIKey:
UUQGWVIRPCRTSA-UHFFFAOYSA-N

Cite this record

CBID:22217 http://www.chembase.cn/molecule-22217.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4-fluorophenyl)methanesulfonyl chloride
IUPAC Traditional name
(4-fluorophenyl)methanesulfonyl chloride
Synonyms
(4-fluorophenyl)methanesulfonyl chloride
4-Fluorobenzylsulfonyl chloride
4-Fluorobenzylsulfonyl chloride
(4-Fluorophenyl)methanesulphonyl chloride 95%
4-Fluorobenzylsulfonyl chloride
4-Fluoro-alpha-toluenesulfonyl chloride
4-氟苯基甲磺酰氯
4-氟-α-甲苯磺酰氯
CAS Number
103360-04-9
MDL Number
MFCD01631930
PubChem SID
160985524
PubChem CID
2759108

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.76766  H Acceptors
H Donor LogD (pH = 5.5) 1.8243871 
LogD (pH = 7.4) 1.8243871  Log P 1.8243871 
Molar Refractivity 45.056 cm3 Polarizability 18.05224 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)
Melting Point
57 - 59°C expand Show data source
58-61°C expand Show data source
60.5-62.5°C expand Show data source
60-61 °C expand Show data source
61-62°C expand Show data source
Flash Point
107 °C expand Show data source
224.6 °F expand Show data source
Partition Coefficient
2.343 expand Show data source
Hydrophobicity(logP)
0.578 expand Show data source
Storage Warning
Corrosive expand Show data source
IRRITANT, CORROSIVE expand Show data source
Moisture Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3261 expand Show data source
UN3261 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
3 expand Show data source
II expand Show data source
Risk Statements
22-34 expand Show data source
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
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H314 expand Show data source
H314-H318 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
P280-P305+P351+P338-P309-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 3 expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C7H6ClFO2S expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 700894 external link
Packaging
1 g in glass bottle

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