CAS 33077-70-2 (4-Hydroxyphenyl)-2-pyridinylmethanone (HCID 36317)

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Basic information

CAS: 33077-70-2
Standard SMILES: O=C(c1ccc(O)cc1)c1ccccn1
InChIKey: ADNZLHSXIAPURS-UHFFFAOYSA-N
Molecular formula: C12H9NO2
Average molar mass: 199.2 g/mol
Monoisotopic mass: 199.06332853

Names & identifiers

Preferred name: (4-Hydroxyphenyl)-2-pyridinylmethanone
IUPAC: (4-hydroxyphenyl)-pyridin-2-ylmethanone
English name: p-hydroxyphenyl 2-pyridyl ketone
Molecular formula: C12H9NO2
Molecular weight: 199.21

Names & synonyms

33077-70-2p-Hydroxyphenyl 2-pyridyl ketone(p-Hydroxyphenyl) 2-pyridyl ketoneKETONE, (p-HYDROXYPHENYL) 2-PYRIDYLKU9QMQ3YG6(4-HYDROXYPHENYL)-2-PYRIDINYLMETHANONEDTXSID90186726RefChem:1050428DTXCID30109217251-368-64-(PYRIDINE-2-CARBONYL)PHENOL(4-hydroxyphenyl)-pyridin-2-ylmethanone

Show more names

Picosulfate Impurity 14-(pyridine-2-carbonyl)benzenephenol

Methanone, (4-hydroxyphenyl)-2-pyridinyl-Picosulfate Impurity 10MFCD01716461(4-HYDROXYPHENYL)(PYRIDIN-2-YL)METHANONE4-?(Pyridine-?2-?carbonyl)?phenol2-(p-Hydroxybenzoyl)pyridinePicosulfate Impurity 3Pyridine, 2-(p-hydroxybenzoyl)-

Database identifiers

CAS: 33077-70-2
PubChem CID: 36317
DTXSID: DTXSID90186726
UNII: KU9QMQ3YG6
EC Number: 251-368-6
Nikkaji: J41.559F

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 50.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 222

Physicochemical properties

Boiling point: 336.72 °C · 336.72°C (rough estimate)
Density: 1.1919 · 1.1919 (rough estimate)
refractive index: 1.588 · 1.5880 (estimate)
storage temp.: Sealed in dry,Room Temperature
pka: 7.08 · 7.08±0.15(Predicted)
Appearance: White to off-white Solid
FDA UNII: 9 QMQ3YG6 · KU9QMQ3YG6
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313