4-Hydroxycoumarin

Suppliers

Names

[ Name ]:
4-Hydroxycoumarin

[Synonym ]:
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

Chemical & Physical Properties

[ 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

MSDS

Click to get detail MSDS

Toxicological Information

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

Safety Information

[ Symbol ]:

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

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Ortho-Hydroxyacetophenone
Ethyl carbonate
4-prop-2-enoxychromen-2-one
carbon monoxide
3-carbethoxy-4-hydroxycoumarin
Dimethyl Carbonate
phosgene
Malonic acid
Phenol

DownStream

2H-1-Benzopyran-2-one, 4-(pentylamino)- (en)
4-(2-phenylethylamino)chromen-2-one
4-HYDROXY-2-OXO-2H-CHROMENE-3-CARBONITRILE
2H-1-Benzopyran-2-one,4-hydroxy-3-(3-oxo-1,3-diphenylpropyl)-
2,4-diphenyl-4H-pyrano[3,2-c]chromen-5-one
9-chlorochromeno[4,3-b]quinolin-6-one
4-cyclohex-2-en-1-yloxychromen-2-one
4-(BENZYLAMINO)-2-OXO-2H-CHROMENE-3-CARBALDEHYDE
2-(1,2-Benzisoxazol-3-yl)acetic acid
(6-fluoro-benzo[d]isoxazol-3-yl)-acetic acid

Customs

[ HS Code ]: 2932209090

[ Summary ]:
2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles

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Transl. Oncol. 7(5) , 590-604, (2014)

The use of heat shock protein 90 (Hsp90) inhibitors is an attractive antineoplastic therapy. We wanted to compare the effects of the benzoquinone 17-allylamino-17-demethoxygeldanamycin (17-AAG, tanesp...

Potential antiproliferative effect of isoxazolo- and thiazolo coumarin derivatives on breast cancer mediated bone and lung metastases.

Acta. Pharm. 65(1) , 53-63, (2015)

The study highlights the current progress in the development of coumarin scaffolds for drug discovery as novel anticancer agents in metastatic breast cancer. Eight compounds, combining the coumarin co...

Design, synthesis, and evaluation of coumarin-based molecular probes for imaging of myelination.

J. Med. Chem. 54 , 2331-40, (2011)

Myelination represents one of the most fundamental biological processes in the vertebrate nervous system. Abnormalities and changes in myelination in the central nervous system (CNS) are seen in many ...

4-hydroxycoumarin
.4-Hydroxycoumarin
1-thio-4-hydroxycoumarin
3-Nitro-4-hydroxycoumarin
3-ethyl-4-hydroxycoumarin
8-methy-4-hydroxycoumarin
2-(benzo[d][1,3]dioxol-5-yloxy)-N-((5-(furan-2-yl)pyridin-3-yl)methyl)propanamide
N-((5-(furan-2-yl)pyridin-3-yl)methyl)-6-isopropoxynicotinamide
N-((5-(furan-2-yl)pyridin-3-yl)methyl)-4-morpholinobenzamide
4-bromo-N-((5-(furan-2-yl)pyridin-3-yl)methyl)thiophene-2-carboxamide
Phenyl ((5-(furan-2-yl)pyridin-3-yl)methyl)carbamate
2,4,5-trifluoro-N-((5-(furan-2-yl)pyridin-3-yl)methyl)-3-methoxybenzamide
N-((5-(furan-2-yl)pyridin-3-yl)methyl)-3-(methylsulfonyl)-2-oxoimidazolidine-1-carboxamide
N-((5-(furan-2-yl)pyridin-3-yl)methyl)chroman-2-carboxamide
N-((5-(furan-2-yl)pyridin-3-yl)methyl)-2,3-dihydrobenzo[b][1,4]dioxine-5-carboxamide
1-(2,6-Difluorobenzyl)-3-((5-(furan-2-yl)pyridin-3-yl)methyl)urea

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