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4403-36-5 molecular structure
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2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethane-1-sulfonyl chloride

ChemBase ID: 22383
Molecular Formular: C10H8ClNO4S
Molecular Mass: 273.69282
Monoisotopic Mass: 272.98625642
SMILES and InChIs

SMILES:
N1(C(=O)c2c(C1=O)cccc2)CCS(=O)(=O)Cl
Canonical SMILES:
O=C1N(CCS(=O)(=O)Cl)C(=O)c2c1cccc2
InChI:
InChI=1S/C10H8ClNO4S/c11-17(15,16)6-5-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-4H,5-6H2
InChIKey:
HCPVYBCAYPMANM-UHFFFAOYSA-N

Cite this record

CBID:22383 http://www.chembase.cn/molecule-22383.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethane-1-sulfonyl chloride
IUPAC Traditional name
2-(1,3-dioxoisoindol-2-yl)ethanesulfonyl chloride
Synonyms
2-Phthalimidoethanesulfonyl chloride
2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethanesulfonyl chloride
2-(1,3-dioxoisoindolin-2-yl)ethanesulfonyl chloride
2-(Phthalimido)ethanesulfonyl chloride
2-苯二甲酰亚氨基乙烷磺酰氯
CAS Number
4403-36-5
MDL Number
MFCD01861217
PubChem SID
160985690
PubChem CID
308739

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.70278615  LogD (pH = 7.4) 0.70278615 
Log P 0.70278615  Molar Refractivity 62.4695 cm3
Polarizability 24.082453 Å3 Polar Surface Area 71.52 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
151 - 153°C expand Show data source
156-160°C expand Show data source
Partition Coefficient
1.183 expand Show data source
Hydrophobicity(logP)
0.237 expand Show data source
Storage Warning
IRRITANT, CORROSIVE expand Show data source
Moisture Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
UN3261 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
95% expand Show data source
95+% expand Show data source
97% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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