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208186-84-9 molecular structure
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(2-chloro-4-fluorophenyl)methanol

ChemBase ID: 7457
Molecular Formular: C7H6ClFO
Molecular Mass: 160.5733432
Monoisotopic Mass: 160.00912071
SMILES and InChIs

SMILES:
c1c(cc(c(c1)CO)Cl)F
Canonical SMILES:
OCc1ccc(cc1Cl)F
InChI:
InChI=1S/C7H6ClFO/c8-7-3-6(9)2-1-5(7)4-10/h1-3,10H,4H2
InChIKey:
ZUHMDLLAHZUDRE-UHFFFAOYSA-N

Cite this record

CBID:7457 http://www.chembase.cn/molecule-7457.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-chloro-4-fluorophenyl)methanol
IUPAC Traditional name
(2-chloro-4-fluorophenyl)methanol
Synonyms
2-Chloro-4-fluorobenzyl alcohol
2-Chloro-4-fluorobenzyl alcohol 97%
2-Chloro-4-fluorobenzyl alcohol
2-氯-4-氟苯甲醇
CAS Number
208186-84-9
MDL Number
MFCD00236024
PubChem SID
160970764
PubChem CID
4982711

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4982711 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.684787  H Acceptors
H Donor LogD (pH = 5.5) 1.9526427 
LogD (pH = 7.4) 1.9526427  Log P 1.9526427 
Molar Refractivity 37.8951 cm3 Polarizability 14.404986 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
43-46°C expand Show data source
44-46°C expand Show data source
Flash Point
>110°C(230°F) 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 expand Show data source
GHS Precautionary statements
P280G-P305+P351+P338 expand Show data source
Purity
98+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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