Home > Compound List > Compound details
60211-57-6 molecular structure
click picture or here to close

(3,5-dichlorophenyl)methanol

ChemBase ID: 69575
Molecular Formular: C7H6Cl2O
Molecular Mass: 177.02794
Monoisotopic Mass: 175.97957017
SMILES and InChIs

SMILES:
C(c1cc(cc(c1)Cl)Cl)O
Canonical SMILES:
OCc1cc(Cl)cc(c1)Cl
InChI:
InChI=1S/C7H6Cl2O/c8-6-1-5(4-10)2-7(9)3-6/h1-3,10H,4H2
InChIKey:
VSNNLLQKDRCKCB-UHFFFAOYSA-N

Cite this record

CBID:69575 http://www.chembase.cn/molecule-69575.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3,5-dichlorophenyl)methanol
IUPAC Traditional name
benzenemethanol, 3,5-dichloro-
Synonyms
3,5-Dichlorobenzyl alcohol
3,5-Dichlorobenzyl alcohol
(3,5-Dichlorophenyl)methanol
(3,5-dichlorophenyl)methanol
3,5-二氯苯甲醇
3,5-二氯苄醇
CAS Number
60211-57-6
EC Number
262-109-1
MDL Number
MFCD00004634
Beilstein Number
1936389
PubChem SID
162035301
24851172
PubChem CID
43236

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.78307  H Acceptors
H Donor LogD (pH = 5.5) 2.4139855 
LogD (pH = 7.4) 2.4139855  Log P 2.4139855 
Molar Refractivity 42.4835 cm3 Polarizability 16.56823 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
76-80°C expand Show data source
76-82°C expand Show data source
79-82 °C(lit.) 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
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
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
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
95+% expand Show data source
97% expand Show data source
98% expand Show data source
Linear Formula
Cl2C6H3CH2OH expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 188735 external link
Packaging
25 g in poly bottle
5 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle