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7,8-Dihydroxy-4-methylcoumarin

7,8-Dihydroxy-4-methylcoumarin structure

CAS No:
2107-77-9
Formula:
C10H8O4
Chemical Name:
7,8-Dihydroxy-4-methylcoumarin
Synonyms:
2H-1-Benzopyran-2-one,7,8-dihydroxy-4-methyl-;Coumarin,7,8-dihydroxy-4-methyl-;7,8-Dihydroxy-4-methyl-2H-1-benzopyran-2-one;7,8-Dihydroxy-4-methylcoumarin;4-Methyl-7,8-dihydroxycoumarin;4-Methyldaphnetin;NSC 45795;NSC 72276;7,8-Dihydroxy-4-methyl-chromen-2-one;7,8-Dihydroxy-4-methyl-2H-chromen-2-one
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

Description

4-Methyldaphnetin is a precursor in the synthesis of derivatives of 4-methyl coumarin. 4-Methyldaphnetin has potent, selective anti-proliferative and apoptosis-inducing effects on several cancer cell lines. 4-Methyldaphnetin possesses radical scavenging property and strongly inhibits membrane lipid peroxidation[1][2][3].

7,8-dihydroxy-4-methyl-1-benzopyran-2-one is a hydroxycoumarin.

7,8-Dihydroxy-4-methylcoumarin Basic Attributes

Molecular Weight：

192.17

Exact Mass：

192.17

BRN：

177613

EC Number：

218-290-4

NSC Number：

72276|45795

DSSTox ID：

DTXSID30175295

HScode：

2932209090

Characteristics

PSA：

66.8

XLogP3：

1.95

Density：

1.5±0.1 g/cm3

Melting Point：

238 °C

Boiling Point：

421.5±45.0 °C at 760 mmHg

Flash Point：

176.0±22.2 °C

Refractive Index：

1.652

Storage Conditions：

2-8°C

Vapor Pressure：

1.05E-07mmHg at 25°C

Collision Cross Section：

134.8 Å² [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

Safety Information

wgk germany：

hazard class code：

36-43

safety instructions：

26-36/37

RTECS Number：

GN6385000

Marks：

Precautionary statement(s)：

P261, P264, P280, P285, P304+P341, P305+P351+P338, P337+P313, P342+P311, P501

Hazard Statements：

H319

GHS Classification：

|Danger|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P261, P264, P280, P285, P304+P341, P305+P351+P338, P337+P313, P342+P311, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

7,8-DHMC

7,8-Dihydroxy-4-methylcoumarin Use and Manufacturing

It can be used as a fluorescence sensor to monitor the consumption of boric acid in the Suzuki cross-coupling reaction. Using a standard handheld long-wave ultraviolet lamp (365nm), fluorescence can be easily detected with the naked eye.

Computed Properties

Molecular Weight:192.17
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Exact Mass:192.04225873
Monoisotopic Mass:192.04225873
Topological Polar Surface Area:66.8
Heavy Atom Count:14
Complexity:284
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 7,8-Dihydroxy-4-methylcoumarin

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Latest News
Learn More Other Chemicals

7,8-Dihydroxy-4-methylcoumarin

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