4-Hydroxy-3-(p-tolyl)-2H-1-benzopyran-2-one

Modify Date: 2025-09-06 16:19:57

4-Hydroxy-3-(p-tolyl)-2H-1-benzopyran-2-one Structure
4-Hydroxy-3-(p-tolyl)-2H-1-benzopyran-2-one structure
Common Name 4-Hydroxy-3-(p-tolyl)-2H-1-benzopyran-2-one
CAS Number 73791-19-2 Molecular Weight 252.26500
Density 1.324g/cm3 Boiling Point 406.1ºC at 760 mmHg
Molecular Formula C16H12O3 Melting Point N/A
MSDS N/A Flash Point 153.2ºC

 Names

Name 4-hydroxy-3-(4-methylphenyl)chromen-2-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.324g/cm3
Boiling Point 406.1ºC at 760 mmHg
Molecular Formula C16H12O3
Molecular Weight 252.26500
Flash Point 153.2ºC
Exact Mass 252.07900
PSA 50.44000
LogP 3.47400
Index of Refraction 1.663
InChIKey VFOIMQUAPALECW-UHFFFAOYSA-N
SMILES Cc1ccc(-c2c(O)c3ccccc3oc2=O)cc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GN7648500
CHEMICAL NAME :
Coumarin, 4-hydroxy-3-(p-tolyl)-
CAS REGISTRY NUMBER :
73791-19-2
BEILSTEIN REFERENCE NO. :
1287628
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C16-H12-O3
MOLECULAR WEIGHT :
252.28
WISWESSER LINE NOTATION :
T66 BO CVJ EQ DR D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
250 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - muscle contraction or spasticity Lungs, Thorax, or Respiration - respiratory stimulation
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 14,29,1964

 Synonyms

4-hydroxy-3-p-tolyl-chromen-2-one
4-hydroxy-3-p-tolyl-2H-chromen-2-one
4-hydroxy-3-p-tolylcoumarin
4-Hydroxy-3-p-tolyl-cumarin
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