2-(4-Chloro-6-methylpyrimidin-2-yl)phenol
Basic information
- CAS
172902-25-9- Standard SMILES
Cc1cc(Cl)nc(-c2ccccc2O)n1- InChIKey
SSJTVFAVNGBQDX-UHFFFAOYSA-N- Molecular formula
- C11H9ClN2O
- Average molar mass
- 220.65 g/mol
- Monoisotopic mass
- 220.0403406
Names & identifiers
- Preferred name
- 2-(4-Chloro-6-methylpyrimidin-2-yl)phenol
- IUPAC
- 2-(4-chloro-6-methylpyrimidin-2-yl)phenol
- English name
- 4-Chloro-2-(2-hydroxyphenyl)-6-methylpyrimidine
- Molecular formula
- C11H9ClN2O
- Molecular weight
- 220.65
Names & synonyms
2-(4-chloro-6-methylpyrimidin-2-yl)phenol172902-25-9MFCD004766884-CHLORO-2-(2-HYDROXYPHENYL)-6-METHYLPYRIMIDINECBDivE_013453MLS000777508CHEMBL1383672SCHEMBL31296065DTXSID00425214HMS2744C22STK805986AKOS005637714
Show more names
CHEMBRDG-BB 52155572-(4-CHLORO-6-METHYL-2-PYRIMIDINYL)PHENOLPhenol, 2-(4-chloro-6-methyl-2-pyrimidinyl)-2-(4-chloro-6-methylpyrimidin-2-yl)phenol(SALTDATA: FREE)
SB57860BS-36825SMR000413901CS-03285372-(4-chloro-6-methyl-pyrimidin-2-yl)phenol2-(4-Chloro-6-methyl-pyrimidin-2-yl)-phenolAB00075507-01F313928
Database identifiers
- CAS
172902-25-9- PubChem CID
- 747290
- DTXSID
DTXSID00425214- ChEMBL
CHEMBL1383672
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 46 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 215
Experimental & physicochemical properties
Solubility<0.2 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 272.1 · 272.1±32.0 °C(Predicted)
- Density
- 1.314 · 1.314±0.06 g/cm3(Predicted)
- pka
- 8.27 · 8.27±0.35(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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