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1076-38-6

1076-38-6 structure
1076-38-6 structure
  • Name: 4-Hydroxycoumarin
  • Chemical Name: 4-hydroxycoumarin
  • CAS Number: 1076-38-6
  • Molecular Formula: C9H6O3
  • Molecular Weight: 162.142
  • Catalog: Pharmaceutical intermediate Heterocyclic compound Pyran compound
  • Create Date: 2018-07-04 11:57:42
  • Modify Date: 2024-01-02 11:15:14
  • 4-Hydroxycoumarin, a coumarin derivative, is one of the most versatile heterocyclic scaffolds and is frequently applied in the synthesis of various organic compounds. 4-Hydroxycoumarin possesses both electrophilic and nucleophilic properties. 4-Hydroxycoumarin derivatives are employed as the anticoagulant, antibacterial, antifungal, antiviral, antitumor, antiprotozoal, insecticidal, antimycobacterial, antimutagenic, antioxidant, anti-inflammatory agents, HIV protease inhibitors and tyrosine kinase inhibitors[1].

Name 4-hydroxycoumarin
Synonyms 4-Monohydroxycoumarin
4-hydroxy-2H-benzopyran-2-one
4-hydroxy-2-chromenone
4-Hydroxy-2H-chromen-2-one
Benzotertonicacid
4-Coumaryl alcohol
4-Hydroxy Coumarin
4-HYDROXYCUMARIN
4-Coumarinol
4-Hydroxy-2H-1-benzopyran-2-one
HydroxyCoumarin
COUMARIN KIT
4-Hydroxycoumarine
4-Hydroxycoumarin
benzotetronic acid
EINECS 214-060-2
MFCD00006856
2H-1-Benzopyran-2-one, 4-hydroxy-
COUMARINOL
4-hydroxy-coumari
Description 4-Hydroxycoumarin, a coumarin derivative, is one of the most versatile heterocyclic scaffolds and is frequently applied in the synthesis of various organic compounds. 4-Hydroxycoumarin possesses both electrophilic and nucleophilic properties. 4-Hydroxycoumarin derivatives are employed as the anticoagulant, antibacterial, antifungal, antiviral, antitumor, antiprotozoal, insecticidal, antimycobacterial, antimutagenic, antioxidant, anti-inflammatory agents, HIV protease inhibitors and tyrosine kinase inhibitors[1].
Related Catalog
References

[1]. Mohammadi Ziarani G, et al. The molecular diversity scope of 4-hydroxycoumarin in the synthesis of heterocyclic compounds via multicomponent reactions. Mol Divers. 2019 Jan 29. doi: 10.1007/s11030-019-09918-7.

Density 1.4±0.1 g/cm3
Boiling Point 352.4±42.0 °C at 760 mmHg
Melting Point 211-213 °C(lit.)
Molecular Formula C9H6O3
Molecular Weight 162.142
Flash Point 165.4±20.7 °C
Exact Mass 162.031693
PSA 50.44000
LogP 1.60
Vapour Pressure 0.0±0.8 mmHg at 25°C
Index of Refraction 1.660
Water Solubility PRACTICALLY INSOLUBLE

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DJ3100000
CHEMICAL NAME :
2H-1-Benzopyran-2-one, 4-hydroxy-
CAS REGISTRY NUMBER :
1076-38-6
BEILSTEIN REFERENCE NO. :
0129768
LAST UPDATED :
199701
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C9-H6-O3
MOLECULAR WEIGHT :
162.15
WISWESSER LINE NOTATION :
T66 BOVJ EQ

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 :
2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
MPHEAE Medicina et Pharmacologia Experimentalis. (Basel, Switzerland) V.12-17, 1965-67. For publisher information, see PHMGBN. Volume(issue)/page/year: 17,497,1967
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
APTOA6 Acta Pharmacologica et Toxicologica. (Copenhagen, Denmark) V.1-59, 1945-86. For publisher information, see PHTOEH Volume(issue)/page/year: 2,109,1946
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
750 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - muscle contraction or spasticity
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 128,126,1960
Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302-H315-H319-H335
Precautionary Statements P261-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xi:Irritant
Risk Phrases R22;R36/37/38
Safety Phrases S26-S36
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS DJ3100000
HS Code 29322980
HS Code 2932209090
Summary 2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%