4-Hydroxycoumarin CAS 1076-38-6

4-Hydroxycoumarin Basic information

Product Name:

4-Hydroxycoumarin

CAS:

1076-38-6

MF:

C9H6O3

MW:

162.14

EINECS:

214-060-2

Mol File:

1076-38-6.mol

4-Hydroxycoumarin Chemical Properties

Melting point

211-213 °C (lit.)

Boiling point

228.82°C (rough estimate)

density

1.1734 (rough estimate)

vapor pressure

0.02Pa at 25℃

refractive index

1.4500 (estimate)

storage temp.

Store below +30°C.

solubility

DMSO (Slightly), Methanol (Slightly)

pka

4.50±1.00(Predicted)

form

Liquid

color

Clear colorless to slightly yellow

Odor

Very faint woody-medicinal odor with a with Aluminum chloride. nut-like, hcrbaccous tone

Water Solubility

PRACTICALLY INSOLUBLE

BRN

129768

InChI

1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H

InChIKey

VXIXUWQIVKSKSA-UHFFFAOYSA-N

SMILES

OC1=CC(=O)Oc2ccccc12

LogP

1.6-2.31 at 21.2℃

CAS DataBase Reference

1076-38-6(CAS DataBase Reference)

NIST Chemistry Reference

4-Hydroxycoumarin(1076-38-6)

EPA Substance Registry System

2H-1-Benzopyran-2-one, 4-hydroxy- (1076-38-6)