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628-34-2 molecular structure
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1-chloro-2-ethoxyethane

ChemBase ID: 151147
Molecular Formular: C4H9ClO
Molecular Mass: 108.56666
Monoisotopic Mass: 108.03419259
SMILES and InChIs

SMILES:
CCOCCCl
Canonical SMILES:
ClCCOCC
InChI:
InChI=1S/C4H9ClO/c1-2-6-4-3-5/h2-4H2,1H3
InChIKey:
GPTVQTPMFOLLOA-UHFFFAOYSA-N

Cite this record

CBID:151147 http://www.chembase.cn/molecule-151147.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-chloro-2-ethoxyethane
IUPAC Traditional name
2-chloroethylether
Synonyms
2-Ethoxyethyl chloride
2-Chloroethyl ethyl ether
1-Chloro-2-ethoxyethane
2-乙氧基氯乙烷
2-氯乙基乙醚
2-氯乙基 乙基 醚
CAS Number
628-34-2
EC Number
211-037-9
MDL Number
MFCD00000974
Beilstein Number
1731361
PubChem SID
24853782
162245305
24892663
PubChem CID
12341

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 12341 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.1458472  LogD (pH = 7.4) 1.1458472 
Log P 1.1458472  Molar Refractivity 27.1044 cm3
Polarizability 10.643467 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-60°C expand Show data source
Boiling Point
107 °C(lit.) expand Show data source
107-108°C expand Show data source
Flash Point
42.8 °F expand Show data source
6 °C expand Show data source
6°C(43°F) expand Show data source
Density
0.989 g/mL at 25 °C(lit.) expand Show data source
0.99 expand Show data source
Refractive Index
1.4120 expand Show data source
n20/D 1.411 expand Show data source
n20/D 1.411(lit.) expand Show data source
RTECS
KN6250000 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
X expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1992 expand Show data source
UN3271 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
11-20/22 expand Show data source
11-20-36/37/38 expand Show data source
Safety Statements
16-23-26-33-36/37 expand Show data source
36/37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS06 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H301-H331 expand Show data source
H225-H332-H315-H319-H335 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
P210-P261-P301 + P310-P311 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1992 3/PG 2 expand Show data source
Purity
≥98.0% (GC) expand Show data source
98+% expand Show data source
99% expand Show data source
Grade
purum expand Show data source
Linear Formula
ClCH2CH2OCH2CH3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - C41207 external link
Packaging
25, 100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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