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627-11-2 molecular structure
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chloro(2-chloroethoxy)methanone

ChemBase ID: 136887
Molecular Formular: C3H4Cl2O2
Molecular Mass: 142.96866
Monoisotopic Mass: 141.95883473
SMILES and InChIs

SMILES:
C(CCl)OC(=O)Cl
Canonical SMILES:
ClCCOC(=O)Cl
InChI:
InChI=1S/C3H4Cl2O2/c4-1-2-7-3(5)6/h1-2H2
InChIKey:
SVDDJQGVOFZBNX-UHFFFAOYSA-N

Cite this record

CBID:136887 http://www.chembase.cn/molecule-136887.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
chloro(2-chloroethoxy)methanone
2-chloroethyl chloroformate
IUPAC Traditional name
chloro(2-chloroethoxy)methanone
chloroethyl chloroformate
Synonyms
2-Chloroethyl carbonochloridate
2-Chloroethoxycarbonyl chloride
2-Chloroethyl chloroformate
氯甲酸-2-氯乙基酯
2-氯乙基氯甲酸酯
CAS Number
627-11-2
EC Number
210-982-4
MDL Number
MFCD00000646
Beilstein Number
506639
PubChem SID
24855215
162231154
PubChem CID
12305

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 12305 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5937649  LogD (pH = 7.4) 1.5937649 
Log P 1.5937649  Molar Refractivity 27.4691 cm3
Polarizability 10.994894 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
155-156 °C(lit.) expand Show data source
Flash Point
158 °F expand Show data source
70 °C expand Show data source
Density
1.385 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.446(lit.) expand Show data source
Vapor Pressure
0.23 psi ( 20 °C) expand Show data source
RTECS
LQ5950000 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
UN Number
3277 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
23-34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314-H331 expand Show data source
GHS Precautionary statements
P261-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 3277 6.1/PG 2 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
95+% expand Show data source
97% expand Show data source
Linear Formula
ClCOOCH2CH2Cl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 252514 external link
Packaging
100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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