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89108-45-2 molecular structure
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5-chloronaphthalene-2-sulfonyl chloride

ChemBase ID: 91448
Molecular Formular: C10H6Cl2O2S
Molecular Mass: 261.12444
Monoisotopic Mass: 259.94655579
SMILES and InChIs

SMILES:
Clc1cccc2c1ccc(c2)S(=O)(=O)Cl
Canonical SMILES:
Clc1cccc2c1ccc(c2)S(=O)(=O)Cl
InChI:
InChI=1S/C10H6Cl2O2S/c11-10-3-1-2-7-6-8(15(12,13)14)4-5-9(7)10/h1-6H
InChIKey:
MICVPVPQQNFKGU-UHFFFAOYSA-N

Cite this record

CBID:91448 http://www.chembase.cn/molecule-91448.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloronaphthalene-2-sulfonyl chloride
IUPAC Traditional name
5-chloronaphthalene-2-sulfonyl chloride
Synonyms
5-Chloro-2-(chlorosulphonyl)naphthalene
5-Chloronaphthalene-2-sulphonyl chloride
5-Chloronaphthalene-2-sulfonyl Chloride
CAS Number
89108-45-2
MDL Number
MFCD00269950
PubChem SID
162078147
PubChem CID
2735777

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2735777 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.5130703  LogD (pH = 7.4) 3.5130703 
Log P 3.5130703  Molar Refractivity 61.5072 cm3
Polarizability 25.736172 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)
Solubility
Dichloromethane expand Show data source
DMF expand Show data source
DMSO expand Show data source
Ethyl Acetate expand Show data source
warm Chloroform expand Show data source
Apperance
Off White (yellow-grey) Solid expand Show data source
Melting Point
110-112°C expand Show data source
110-112°C expand Show data source
Storage Condition
Hygroscopic, -20°C Freezer, Under Inert Atmosphere expand Show data source
Storage Warning
Corrosive/Harmful/Moisture Sensitive/Store under Argon/Store at -20°C expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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