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261762-59-8 molecular structure
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(2-chloro-5-fluorophenyl)methanol

ChemBase ID: 7611
Molecular Formular: C7H6ClFO
Molecular Mass: 160.5733432
Monoisotopic Mass: 160.00912071
SMILES and InChIs

SMILES:
c1(ccc(c(c1)CO)Cl)F
Canonical SMILES:
OCc1cc(F)ccc1Cl
InChI:
InChI=1S/C7H6ClFO/c8-7-2-1-6(9)3-5(7)4-10/h1-3,10H,4H2
InChIKey:
VTZKFYRHXVQMQL-UHFFFAOYSA-N

Cite this record

CBID:7611 http://www.chembase.cn/molecule-7611.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-chloro-5-fluorophenyl)methanol
IUPAC Traditional name
(2-chloro-5-fluorophenyl)methanol
Synonyms
(2-Chloro-5-fluorophenyl)methanol
2-Chloro-5-fluorobenzyl alcohol 97%
2-Chloro-5-fluorobenzyl alcohol
2-Chloro-5-fluorobenzyl alcohol
2-氯-5-氟苄醇
CAS Number
261762-59-8
MDL Number
MFCD01631418
PubChem SID
160970918
PubChem CID
2773605

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.561889  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 14.397683 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
68-72°C expand Show data source
68-72°C 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
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
97% expand Show data source
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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