CAS No.2829-46-1,3-Cyano-7-hydroxy-4-methylcoumarin Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	2829-46-1
Name:	3-Cyano-7-hydroxy-4-methylcoumarin

Formula:	C₁₁H₇NO₃
Molecular Weight:	201.181
Synonyms:	2H-1-Benzopyran-3-carbonitrile, 7-hydroxy-4-methyl-2-oxo-;7-Hydroxy-4-methyl-2-oxochromene-3-carbonitrile;
Density:	1.433 g/cm³
Melting Point:	300-304 °C
Boiling Point:	429.72 °C at 760 mmHg
Flash Point:	213.687 °C
Hazard Symbols:	Xn
Risk Codes:	20/21/22-36/37/38
Safety:	26-36
PSA:	74.23000
LogP:	1.67868

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Specification

The 3-Cyano-7-hydroxy-4-methylcoumarin, with the CAS registry number 2829-46-1, is also known as 2H-1-Benzopyran-3-carbonitrile, 7-hydroxy-4-methyl-2-oxo-. It belongs to the product categories of API Intermediates; Building Blocks; Coumarins; Heterocyclic Building Blocks. This chemical's molecular formula is C₁₁H₇NO₃ and molecular weight is 201.17818. Its IUPAC name is called 7-hydroxy-4-methyl-2-oxochromene-3-carbonitrile. What's more, the product should be sealed and stored in cool and dry place.

Physical properties of 3-Cyano-7-hydroxy-4-methylcoumarin: (1)ACD/LogP: 2.54; (2)ACD/LogD (pH 5.5): 2.525; (3)ACD/LogD (pH 7.4): 2.084; (4)ACD/BCF (pH 5.5): 48.612; (5)ACD/BCF (pH 7.4): 17.596; (6)ACD/KOC (pH 5.5): 557.409; (7)ACD/KOC (pH 7.4): 201.77; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.641; (12)Molar Refractivity: 50.635 cm³; (13)Molar Volume: 140.376 cm³; (14)Surface Tension: 67.866 dyne/cm; (15)Density: 1.433 g/cm³; (16)Flash Point: 213.687 °C; (17)Enthalpy of Vaporization: 71.155 kJ/mol; (18)Boiling Point: 429.72 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing. Finally, you must avoid contacting it with skin and eyes.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2)O)C#N
(2)InChI: InChI=1S/C11H7NO3/c1-6-8-3-2-7(13)4-10(8)15-11(14)9(6)5-12/h2-4,13H,1H3
(3)InChIKey: GLGBPOSQDAZSIZ-UHFFFAOYSA-N