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15258-73-8 molecular structure
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(2,6-dichlorophenyl)methanol

ChemBase ID: 89444
Molecular Formular: C7H6Cl2O
Molecular Mass: 177.02794
Monoisotopic Mass: 175.97957017
SMILES and InChIs

SMILES:
Clc1c(c(ccc1)Cl)CO
Canonical SMILES:
OCc1c(Cl)cccc1Cl
InChI:
InChI=1S/C7H6Cl2O/c8-6-2-1-3-7(9)5(6)4-10/h1-3,10H,4H2
InChIKey:
WKKHCCZLKYKUDN-UHFFFAOYSA-N

Cite this record

CBID:89444 http://www.chembase.cn/molecule-89444.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2,6-dichlorophenyl)methanol
IUPAC Traditional name
benzenemethanol, 2,6-dichloro-
Synonyms
2,6-Dichlorobenzyl alcohol 97%
2,6-Dichlorobenzyl alcohol
(2,6-Dichlorophenyl)methanol
2,6-Dichlorobenzyl alcohol
2,6-二氯苄醇
2,6-二氯苯甲醇
CAS Number
15258-73-8
EC Number
239-300-3
MDL Number
MFCD00004609
Beilstein Number
1938356
PubChem SID
162076324
24846522
PubChem CID
27156

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.4540825  H Acceptors
H Donor LogD (pH = 5.5) 2.4139855 
LogD (pH = 7.4) 2.4139853  Log P 2.4139855 
Molar Refractivity 42.4835 cm3 Polarizability 16.578264 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
95-97°C expand Show data source
95-99°C expand Show data source
96-98 °C(lit.) expand Show data source
Boiling Point
150°C/25mm expand Show data source
Storage Warning
Irritant expand Show data source
RTECS
DO0900000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 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 expand Show data source
GHS Precautionary statements
P280G-P305+P351+P338 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
97% expand Show data source
98% expand Show data source
99% expand Show data source
Linear Formula
Cl2C6H3CH2OH expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 100293 external link
Packaging
10, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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