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21062-20-4 molecular structure
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2-(2-chloro-2-oxoethoxy)acetyl chloride

ChemBase ID: 149305
Molecular Formular: C4H4Cl2O3
Molecular Mass: 170.97876
Monoisotopic Mass: 169.95374935
SMILES and InChIs

SMILES:
C(C(=O)Cl)OCC(=O)Cl
Canonical SMILES:
ClC(=O)COCC(=O)Cl
InChI:
InChI=1S/C4H4Cl2O3/c5-3(7)1-9-2-4(6)8/h1-2H2
InChIKey:
GTZXSBQCNBNWPK-UHFFFAOYSA-N

Cite this record

CBID:149305 http://www.chembase.cn/molecule-149305.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-chloro-2-oxoethoxy)acetyl chloride
IUPAC Traditional name
2-(2-chloro-2-oxoethoxy)acetyl chloride
Synonyms
2,2′-Oxydiacetyl chloride
Diglycolyl chloride
2,2'-氧化二乙酰氯
CAS Number
21062-20-4
EC Number
244-186-3
MDL Number
MFCD00134471
PubChem SID
162243473
24863545
PubChem CID
88769

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
378151 external link Add to cart Please log in.
Data Source Data ID
PubChem 88769 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.14717534  LogD (pH = 7.4) 0.14717534 
Log P 0.14717534  Molar Refractivity 32.8987 cm3
Polarizability 13.016099 Å3 Polar Surface Area 43.37 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
84-87 °C/2 mmHg(lit.) expand Show data source
Flash Point
113 °C expand Show data source
235.4 °F expand Show data source
Density
1.439 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.473(lit.) expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3265 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
2 expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-27-28-36/37/39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 3265 8/PG 2 expand Show data source
Purity
95% expand Show data source
Linear Formula
O(CH2COCl)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 378151 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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