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92314-65-3 molecular structure
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(13C2)oxalic dichloride

ChemBase ID: 135673
Molecular Formular: C2Cl2O2
Molecular Mass: 128.91150968
Monoisotopic Mass: 127.93424428
SMILES and InChIs

SMILES:
[13C](=O)([13C](=O)Cl)Cl
Canonical SMILES:
Cl[13C](=O)[13C](=O)Cl
InChI:
InChI=1S/C2Cl2O2/c3-1(5)2(4)6/i1+1,2+1
InChIKey:
CTSLXHKWHWQRSH-ZDOIIHCHSA-N

Cite this record

CBID:135673 http://www.chembase.cn/molecule-135673.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(13C2)oxalic dichloride
IUPAC Traditional name
(13C2)oxalic dichloride
Synonyms
Oxalyl-13C2 chloride
草酰-13C2 氯
CAS Number
92314-65-3
MDL Number
MFCD09842682
PubChem SID
162229946
PubChem CID
12998418

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
665428 external link Add to cart Please log in.
Data Source Data ID
PubChem 12998418 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.8029077  LogD (pH = 7.4) 0.8029077 
Log P 0.8029077  Molar Refractivity 22.1556 cm3
Polarizability 8.683687 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)
Boiling Point
62-65 °C expand Show data source
Density
1.523 g/mL at 25 °C expand Show data source
Mass Shift
M+2 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
2922 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
1 expand Show data source
Risk Statements
14-20-29-34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314-H332 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
RID/ADR
UN 2922 8/PG 1 expand Show data source
Purity
98% (CP) expand Show data source
Isotopic Purity
99 atom % 13C expand Show data source
Empirical Formula (Hill Notation)
13C2Cl2O2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 665428 external link
Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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