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22536-65-8 molecular structure
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2-chloro-5-methoxypyrimidine

ChemBase ID: 67993
Molecular Formular: C5H5ClN2O
Molecular Mass: 144.559
Monoisotopic Mass: 144.00904047
SMILES and InChIs

SMILES:
c1(ncc(cn1)OC)Cl
Canonical SMILES:
COc1cnc(nc1)Cl
InChI:
InChI=1S/C5H5ClN2O/c1-9-4-2-7-5(6)8-3-4/h2-3H,1H3
InChIKey:
RSUBGBZOMBTDTI-UHFFFAOYSA-N

Cite this record

CBID:67993 http://www.chembase.cn/molecule-67993.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-5-methoxypyrimidine
IUPAC Traditional name
2-chloro-5-methoxypyrimidine
Synonyms
2-Chloro-5-methoxypyrimidine
2-Chloro-5-methoxypyrimidine
2-氯-5-甲氧基嘧啶
CAS Number
22536-65-8
MDL Number
MFCD08702770
PubChem SID
24885628
162033725
PubChem CID
589058

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.80061454  LogD (pH = 7.4) 0.80061454 
Log P 0.80061454  Molar Refractivity 34.6841 cm3
Polarizability 13.128704 Å3 Polar Surface Area 35.01 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
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
37/38-41 expand Show data source
Safety Statements
26-39 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H315-H318-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
95+% expand Show data source
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C5H5ClN2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 681288 external link
Packaging
500 mg in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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