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717109-43-8 molecular structure
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2-(2-chloroethoxy)ethan-1-ol

ChemBase ID: 147729
Molecular Formular: C4H9ClO2
Molecular Mass: 124.56606
Monoisotopic Mass: 124.02910721
SMILES and InChIs

SMILES:
C(COCCCl)O
Canonical SMILES:
OCCOCCCl
InChI:
InChI=1S/C4H9ClO2/c5-1-3-7-4-2-6/h6H,1-4H2
InChIKey:
LECMBPWEOVZHKN-UHFFFAOYSA-N

Cite this record

CBID:147729 http://www.chembase.cn/molecule-147729.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-chloroethoxy)ethan-1-ol
IUPAC Traditional name
ethanol, 2-(2-chloroethoxy)-
Synonyms
2-(2-Chloroethoxy)ethanol
1-Chloro-2-(ethoxydiphenylmethyl)benzene
Diethylene glycol monochlorohydrin
2-(2-Chloroethoxy)ethanol
2-(2-Hydroxyethoxy)ethyl chloride
Diethylene glycol monochlorohydrin
2-氯乙氧基乙醇
2-(2-氯乙氧基)乙醇
2-氯乙氧基乙醇
CAS Number
717109-43-8
628-89-7
EC Number
211-059-9
MDL Number
MFCD00002870
Beilstein Number
506015
PubChem SID
24859331
162241913
24850014
PubChem CID
12361

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.121239  H Acceptors
H Donor LogD (pH = 5.5) 0.098937266 
LogD (pH = 7.4) 0.09893726  Log P 0.098937266 
Molar Refractivity 28.6481 cm3 Polarizability 11.330316 Å3
Polar Surface Area 29.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
185°C expand Show data source
79-81 °C/5 mmHg(lit.) expand Show data source
Flash Point
194 °F expand Show data source
90 °C expand Show data source
90°C(194°F) expand Show data source
Density
1.18 g/mL at 25 °C(lit.) expand Show data source
1.180 expand Show data source
Refractive Index
1.4535 expand Show data source
n20/D 1.452(lit.) expand Show data source
n20/D 1.454 expand Show data source
RTECS
KK1350000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-37-60 expand Show data source
TSCA Listed
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
H315-H318-H335 expand Show data source
H315-H319-H335-H227 expand Show data source
GHS Precautionary statements
P210-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
P261-P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
≥98.0% (GC) expand Show data source
95+% expand Show data source
99% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
ClCH2CH2OCH2CH2OH expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - 162965 external link
Packaging
50, 250 g in glass bottle
Toronto Research Chemicals - C365745 external link
1-Chloro-2-(ethoxydiphenylmethyl)benzene is an impurity of the antifungal agent Clotrimazole (C587400).

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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