Home > Compound List > Compound details
19646-07-2 molecular structure
click picture or here to close

(2,4-dichloropyrimidin-5-yl)methanol

ChemBase ID: 299220
Molecular Formular: C5H4Cl2N2O
Molecular Mass: 179.00406
Monoisotopic Mass: 177.97006812
SMILES and InChIs

SMILES:
c1c(c(nc(n1)Cl)Cl)CO
Canonical SMILES:
OCc1cnc(nc1Cl)Cl
InChI:
InChI=1S/C5H4Cl2N2O/c6-4-3(2-10)1-8-5(7)9-4/h1,10H,2H2
InChIKey:
YFWAJBZGZRKMJQ-UHFFFAOYSA-N

Cite this record

CBID:299220 http://www.chembase.cn/molecule-299220.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2,4-dichloropyrimidin-5-yl)methanol
IUPAC Traditional name
(2,4-dichloropyrimidin-5-yl)methanol
Synonyms
2,4-Dichloro-5-methoxypyrimidine
CAS Number
19646-07-2
MDL Number
MFCD02685670
PubChem SID
180684751
PubChem CID
71301505

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Alfa Aesar
H56153 external link Add to cart Please log in.
Data Source Data ID
PubChem 71301505 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.059399  H Acceptors
H Donor LogD (pH = 5.5) 1.0151578 
LogD (pH = 7.4) 1.0151578  Log P 1.0151579 
Molar Refractivity 40.9029 cm3 Polarizability 15.109766 Å3
Polar Surface Area 46.01 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
66-70°C expand Show data source
European Hazard Symbols
X expand Show data source
Risk Statements
22-37/38-41 expand Show data source
Safety Statements
26-36/37/39-60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS Hazard statements
H301-H315-H335-H318 expand Show data source
GHS Precautionary statements
P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

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