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332-43-4 molecular structure
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1-(2-chloroethyl)-4-fluorobenzene

ChemBase ID: 9612
Molecular Formular: C8H8ClF
Molecular Mass: 158.6005232
Monoisotopic Mass: 158.02985616
SMILES and InChIs

SMILES:
c1(CCCl)ccc(F)cc1
Canonical SMILES:
ClCCc1ccc(cc1)F
InChI:
InChI=1S/C8H8ClF/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5-6H2
InChIKey:
LPUURRVXQCVXCX-UHFFFAOYSA-N

Cite this record

CBID:9612 http://www.chembase.cn/molecule-9612.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2-chloroethyl)-4-fluorobenzene
IUPAC Traditional name
1-(2-chloroethyl)-4-fluorobenzene
Synonyms
1-(2-Chloroethyl)-4-fluorobenzene
2-(4-Fluorophenyl)ethyl chloride
1-(2-Chloroethyl)-4-fluorobenzene
4-Fluorophenethyl chloride
1-(2-Chloroethyl)-4-fluorobenzene 97%
1-(2-氯乙基)-4-氟苯
CAS Number
332-43-4
EC Number
206-364-9
MDL Number
MFCD00155000
Beilstein Number
2079481
PubChem SID
160972919
PubChem CID
67622

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 67622 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.991851  LogD (pH = 7.4) 2.991851 
Log P 2.991851  Molar Refractivity 40.8963 cm3
Polarizability 15.429857 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
98-99°C/26mm expand Show data source
98-99°C/26mm expand Show data source
Density
1.507 expand Show data source
Refractive Index
1.507 expand Show data source
1.5077 expand Show data source
1.5080 expand Show data source
Storage Warning
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319 expand Show data source
GHS Precautionary statements
P280-P305+P351+P338-P302+P352-P321-P362-P332+P313 expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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