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1435-49-0 molecular structure
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1,2-dichloro-4-fluorobenzene

ChemBase ID: 9134
Molecular Formular: C6H3Cl2F
Molecular Mass: 164.9924232
Monoisotopic Mass: 163.95958368
SMILES and InChIs

SMILES:
c1(Cl)c(Cl)ccc(c1)F
Canonical SMILES:
Fc1ccc(c(c1)Cl)Cl
InChI:
InChI=1S/C6H3Cl2F/c7-5-2-1-4(9)3-6(5)8/h1-3H
InChIKey:
QSDKXMVGRLVIQV-UHFFFAOYSA-N

Cite this record

CBID:9134 http://www.chembase.cn/molecule-9134.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2-dichloro-4-fluorobenzene
IUPAC Traditional name
1,2-dichloro-4-fluorobenzene
Synonyms
3,4-Dichloro-1-fluorobenzene
1,2-Dichloro-4-fluorobenzene
3,4-Dichlorofluorobenzene 99%
3,4-Dichlorofluorobenzene
1,2-Dichloro-4-fluorobenzene
1,2-二氯-4-氟苯
CAS Number
1435-49-0
EC Number
215-858-3
MDL Number
MFCD00018119
Beilstein Number
1861278
PubChem SID
160972441
PubChem CID
74028

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Log P 3.324037  Molar Refractivity 35.884 cm3
Polarizability 13.885431 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
LogD (pH = 5.5) 3.324037  LogD (pH = 7.4) 3.324037 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-1°C expand Show data source
-1°C expand Show data source
Boiling Point
166-171°C expand Show data source
168-171°C expand Show data source
86°C/35mm expand Show data source
Flash Point
64°C expand Show data source
64°C(147°F) expand Show data source
Density
1.403 expand Show data source
Refractive Index
1.524 expand Show data source
1.5240 expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 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-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
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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