Home > Compound List > Compound details
1623-93-4 molecular structure
click picture or here to close

4-phenylbenzene-1-sulfonyl chloride

ChemBase ID: 75243
Molecular Formular: C12H9ClO2S
Molecular Mass: 252.71666
Monoisotopic Mass: 252.00117821
SMILES and InChIs

SMILES:
S(=O)(=O)(c1ccc(cc1)c1ccccc1)Cl
Canonical SMILES:
ClS(=O)(=O)c1ccc(cc1)c1ccccc1
InChI:
InChI=1S/C12H9ClO2S/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChIKey:
ALBQXDHCMLLQMB-UHFFFAOYSA-N

Cite this record

CBID:75243 http://www.chembase.cn/molecule-75243.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-phenylbenzene-1-sulfonyl chloride
IUPAC Traditional name
4-phenylbenzenesulfonyl chloride
Synonyms
Biphenyl-4-sulphonyl chloride
[1,1'-Biphenyl]-4-sulfonyl chloride
4-phenylbenzene-1-sulfonyl chloride
4-Phenylbenzenesulfonic acid chloride
4-Phenylbenzenesulfonyl chloride
p-Phenylbenzenesulfonyl chloride
p-Biphenylsulfonyl chloride
Biphenyl-4-sulfonyl chloride
(4-Biphenylyl)sulfonyl chloride
4-(Chlorosulfonyl)biphenyl
4-联苯基磺酰氯
联苯-4-磺酰氯
CAS Number
1623-93-4
EC Number
216-609-1
MDL Number
MFCD00078658
Beilstein Number
2694373
PubChem SID
24878182
162040161
PubChem CID
74192

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.5667741  LogD (pH = 7.4) 3.5667741 
Log P 3.5667741  Molar Refractivity 65.3884 cm3
Polarizability 27.281916 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
103-108 °C(lit.) expand Show data source
112-117°C expand Show data source
113 - 115°C expand Show data source
Boiling Point
200-205°C/6mm expand Show data source
Hydrophobicity(logP)
2.058 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
3261 expand Show data source
UN3096 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
14-34 expand Show data source
34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
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
P280-P305 + P351 + P338-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 2 expand Show data source
Supplemental Hazard Statements
Reacts violently with water. expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
97% expand Show data source
Linear Formula
C6H5C6H4SO2Cl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 536938 external link
Packaging
5 g in glass bottle
Application
Reactant for:
• Preparation of anilinopyrimidinesulfonamides as potential anticancer agents1
• Synthesis of inhibitors of the hypoxia inducible factor pathway2
• Preparation of hydroxy-sulfonyl-piperidinyl butyramides as HDAC inhibitors and potential antitumors3
• Palladium-catalyzed desulfitative C-arylation4

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