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19819-95-5 molecular structure
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2-(2-chlorophenyl)ethan-1-ol

ChemBase ID: 108138
Molecular Formular: C8H9ClO
Molecular Mass: 156.60946
Monoisotopic Mass: 156.03419259
SMILES and InChIs

SMILES:
OCCc1ccccc1Cl
Canonical SMILES:
OCCc1ccccc1Cl
InChI:
InChI=1S/C8H9ClO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,10H,5-6H2
InChIKey:
IWNHTCBFRSCBQK-UHFFFAOYSA-N

Cite this record

CBID:108138 http://www.chembase.cn/molecule-108138.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-chlorophenyl)ethan-1-ol
IUPAC Traditional name
2-(2-chlorophenyl)ethanol
Synonyms
2-(2-chlorophenyl)ethanol
O-CHLOROPHENYLMETHYLCARBINOL
2-Chlorophenethyl alcohol
2-氯苯基乙醇
CAS Number
19819-95-5
EC Number
243-348-0
MDL Number
MFCD00002888
PubChem SID
162094049
24851618
PubChem CID
88266

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 88266 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Polarizability 16.415285 Å3 Polar Surface Area 20.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 15.795065  H Acceptors
H Donor LogD (pH = 5.5) 2.0986018 
LogD (pH = 7.4) 2.0986018  Log P 2.0986018 
Molar Refractivity 42.4337 cm3

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
84-85 °C/3 mmHg(lit.) expand Show data source
Flash Point
>113 °C expand Show data source
>235.4 °F expand Show data source
Density
1.19 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.551(lit.) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Purity
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
ClC6H4CH2CH2OH expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05206205 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 193844 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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