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3811-04-9 molecular structure
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O-(hydroxychlorosyl)oxidanol

ChemBase ID: 105869
Molecular Formular: ClH2O3
Molecular Mass: 85.46708
Monoisotopic Mass: 84.9692466
SMILES and InChIs

SMILES:
O[Cl](=O)O
Canonical SMILES:
O[Cl](=O)O
InChI:
InChI=1S/ClH3O3/c2-1(3)4/h1H,(H2,2,3,4)
InChIKey:
GWTWUIGVJIWGRP-UHFFFAOYSA-N

Cite this record

CBID:105869 http://www.chembase.cn/molecule-105869.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
O-(hydroxychlorosyl)oxidanol
IUPAC Traditional name
O-(hydroxychlorosyl)oxidanol
Synonyms
POTASSIUM CHLORATE ACS REAGENT GRADE
CAS Number
3811-04-9
EC Number
223-289-7
PubChem SID
162088989
PubChem CID
0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
02194876 external link Add to cart Please log in.
Data Source Data ID
PubChem 0 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
Molar Refractivity 12.7084 cm3 Polar Surface Area 57.53 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
368°C expand Show data source
Density
2-320 g/ml expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
FO0350000 expand Show data source
European Hazard Symbols
Oxidising Oxidising (O) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1485 expand Show data source
MSDS Link
Download expand Show data source
Hazard Class
5.1 expand Show data source
Packing Group
II expand Show data source
Australian Hazchem
1YE expand Show data source
Risk Statements
R:9-20/22 expand Show data source
Safety Statements
S:13-16-27 expand Show data source
EU Classification
O2 expand Show data source
EU Hazard Identification Number
5.1B expand Show data source
Emergency Response Guidebook(ERG) Number
140 expand Show data source
Purity
≥99% expand Show data source
Grade
ACS expand Show data source
REAGENT expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 02194876 external link
ACS Reagent Grade
Purity: >99%
NOT FOR EXPORT

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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