COUMARIN, 4-HYDROXY-3-(alpha-NAPHTHYL)-

Modify Date: 2025-10-02 09:19:20

COUMARIN, 4-HYDROXY-3-(alpha-NAPHTHYL)- Structure
COUMARIN, 4-HYDROXY-3-(alpha-NAPHTHYL)- structure
Common Name COUMARIN, 4-HYDROXY-3-(alpha-NAPHTHYL)-
CAS Number 39923-41-6 Molecular Weight 288.29700
Density 1.383g/cm3 Boiling Point 485.3ºC at 760 mmHg
Molecular Formula C19H12O3 Melting Point N/A
MSDS N/A Flash Point 181.6ºC

 Names

Name 4-hydroxy-3-naphthalen-1-ylchromen-2-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.383g/cm3
Boiling Point 485.3ºC at 760 mmHg
Molecular Formula C19H12O3
Molecular Weight 288.29700
Flash Point 181.6ºC
Exact Mass 288.07900
PSA 50.44000
LogP 4.31880
Index of Refraction 1.735
InChIKey HOHNSHNCSSSVEW-UHFFFAOYSA-N
SMILES O=c1oc2ccccc2c(O)c1-c1cccc2ccccc12

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GN7575000
CHEMICAL NAME :
Coumarin, 4-hydroxy-3-(alpha-naphthyl)-
CAS REGISTRY NUMBER :
39923-41-6
BEILSTEIN REFERENCE NO. :
1289402
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C19-H12-O3
MOLECULAR WEIGHT :
288.31
WISWESSER LINE NOTATION :
T66 BO CVJ EQ D- BL66J

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 :
500 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

 Synthetic Route

~79%

COUMARIN, 4-HYDROXY-3-(alpha-NAPHTHYL)- Structure

COUMARIN, 4-HYD...

CAS#:39923-41-6

Literature: Zhu, Qiang; Wu, Jie; Fathi, Reza; Yang, Zhen Organic Letters, 2002 , vol. 4, # 19 p. 3333 - 3336

~%

COUMARIN, 4-HYDROXY-3-(alpha-NAPHTHYL)- Structure

COUMARIN, 4-HYD...

CAS#:39923-41-6

Literature: Zhu, Qiang; Wu, Jie; Fathi, Reza; Yang, Zhen Organic Letters, 2002 , vol. 4, # 19 p. 3333 - 3336

~76%

COUMARIN, 4-HYDROXY-3-(alpha-NAPHTHYL)- Structure

COUMARIN, 4-HYD...

CAS#:39923-41-6

Literature: Rodriguez, Sergio A.; Baumgartner, Maria T. Tetrahedron Letters, 2010 , vol. 51, # 40 p. 5322 - 5324

 Synonyms

4-Hydroxy-3-<1-naphthyl>-cumarin
4-hydroxy-3-naphthalen-1-yl-chromen-2-one
2-HYDROXY-3-NAPHTHALEN-1-YL-CHROMEN-4-ONE
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