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339370-40-0 molecular structure
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5-bromo-2-fluorobenzene-1-sulfonyl chloride

ChemBase ID: 99741
Molecular Formular: C6H3BrClFO2S
Molecular Mass: 273.5072232
Monoisotopic Mass: 271.87096824
SMILES and InChIs

SMILES:
S(=O)(=O)(c1c(ccc(c1)Br)F)Cl
Canonical SMILES:
Brc1ccc(c(c1)S(=O)(=O)Cl)F
InChI:
InChI=1S/C6H3BrClFO2S/c7-4-1-2-5(9)6(3-4)12(8,10)11/h1-3H
InChIKey:
LLDLTDWAHZBZIQ-UHFFFAOYSA-N

Cite this record

CBID:99741 http://www.chembase.cn/molecule-99741.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-2-fluorobenzene-1-sulfonyl chloride
IUPAC Traditional name
5-bromo-2-fluorobenzenesulfonyl chloride
Synonyms
1-Bromo-3-(chlorosulphonyl)-4-fluorobenzene
5-Bromo-2-fluorobenzenesulphonyl chloride 98%
5-bromo-2-fluorobenzene-1-sulfonyl chloride
CAS Number
339370-40-0
MDL Number
MFCD09763690
PubChem SID
162085991
PubChem CID
43555587

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 43555587 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.8310034  LogD (pH = 7.4) 2.8310034 
Log P 2.8310034  Molar Refractivity 48.0914 cm3
Polarizability 19.317282 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
61-66°C expand Show data source
68 - 70°C expand Show data source
Hydrophobicity(logP)
1.176 expand Show data source
Storage Warning
Corrosive/Store under Argon expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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