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2655-83-6 molecular structure
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1-chloro-3-ethoxybenzene

ChemBase ID: 150762
Molecular Formular: C8H9ClO
Molecular Mass: 156.60946
Monoisotopic Mass: 156.03419259
SMILES and InChIs

SMILES:
CCOc1cccc(c1)Cl
Canonical SMILES:
CCOc1cccc(c1)Cl
InChI:
InChI=1S/C8H9ClO/c1-2-10-8-5-3-4-7(9)6-8/h3-6H,2H2,1H3
InChIKey:
HNMYSCABMYNGTP-UHFFFAOYSA-N

Cite this record

CBID:150762 http://www.chembase.cn/molecule-150762.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-chloro-3-ethoxybenzene
IUPAC Traditional name
benzene, 1-chloro-3-ethoxy-
Synonyms
3-Chlorophenetole
间-氯乙氧基苯
CAS Number
2655-83-6
EC Number
220-185-3
MDL Number
MFCD00672978
PubChem SID
162244922
24873758
PubChem CID
75866

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
514411 external link Add to cart Please log in.
Data Source Data ID
PubChem 75866 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.7764273  LogD (pH = 7.4) 2.7764273 
Log P 2.7764273  Molar Refractivity 42.0746 cm3
Polarizability 16.551638 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)
Boiling Point
86.5 °C/12 mmHg(lit.) expand Show data source
Flash Point
197.6 °F expand Show data source
92 °C expand Show data source
Density
1.12 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.525(lit.) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) expand Show data source
Purity
97% expand Show data source
Linear Formula
ClC6H4OC2H5 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 514411 external link
Packaging
10 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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