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348-59-4 molecular structure
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1,4-dichloro-2-fluorobenzene

ChemBase ID: 94808
Molecular Formular: C6H3Cl2F
Molecular Mass: 164.9924232
Monoisotopic Mass: 163.95958368
SMILES and InChIs

SMILES:
Fc1c(ccc(c1)Cl)Cl
Canonical SMILES:
Clc1ccc(c(c1)F)Cl
InChI:
InChI=1S/C6H3Cl2F/c7-4-1-2-5(8)6(9)3-4/h1-3H
InChIKey:
BJQTYCQGIXZSNM-UHFFFAOYSA-N

Cite this record

CBID:94808 http://www.chembase.cn/molecule-94808.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,4-dichloro-2-fluorobenzene
IUPAC Traditional name
1,4-dichloro-2-fluorobenzene
Synonyms
1,4-Dichloro-2-fluorobenzene
2,5-Dichlorofluorobenzene 98%
2,5-Dichlorofluorobenzene
2,5-Dichloro-1-fluorobenzene
1,4-Dichloro-2-fluorobenzene
1,4-Dichloro-2-fluorobenzene
1,4-二氯-2-氟苯
CAS Number
348-59-4
MDL Number
MFCD00060656
Beilstein Number
2355590
PubChem SID
162081462
PubChem CID
136173

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.324037  LogD (pH = 7.4) 3.324037 
Log P 3.324037  Molar Refractivity 35.884 cm3
Polarizability 13.882281 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)
Melting Point
4°C expand Show data source
4°C expand Show data source
Boiling Point
168°C expand Show data source
168°C expand Show data source
Flash Point
65°C expand Show data source
65°C(149°F) expand Show data source
Density
1.383 expand Show data source
Refractive Index
1.5245 expand Show data source
Storage Warning
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335-H227 expand Show data source
GHS Precautionary statements
P210-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
98% expand Show data source
99% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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