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3-Cyano-7-hydroxycoumarin

3-Cyano-7-hydroxycoumarin structure

CAS No:
19088-73-4
Formula:
C10H5NO3
Chemical Name:
3-Cyano-7-hydroxycoumarin
Synonyms:
3-CYANOUMBELLIFERONE;3-CYANO-7-HYDROXYCOUMARIN;3-CYANOUMBELLIFERONE, FOR FLUORESCENCE*;7-hydroxy-2-oxo-2H-chromene-3-carbonitrile;7-Hydroxy-2-oxochromene-3-carbonitrile;3-CyanouMbelliferone [3-Cyano-7-hydroxycouMarin]
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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3-Cyano-7-hydroxycoumarin Basic Attributes

Molecular Weight：

187.15

Exact Mass：

187.02700

DSSTox ID：

DTXSID20172596

HScode：

2932209090

Characteristics

PSA：

70.3

XLogP3：

1.5

Density：

1.50±0.1 g/cm3(Predicted)

Melting Point：

≥250 °C(lit.)

Boiling Point：

436.6±45.0 °C(Predicted)

Flash Point：

217.8ºC

Refractive Index：

1.667

Water Solubility：

DMF: soluble

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302 + H312 + H332-H315-H319-H335

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

Metabolism/Metabolites：

3-Cyano-7-hydroxycoumarin is a known human metabolite of 3-cyano-7-ethoxycoumarin and 3-cyano-7-methoxycoumarin.

MeSH Entry Terms：

3-CHDC

3-Cyano-7-hydroxycoumarin Use and Manufacturing

Methods of Manufacturing

General procedure: α-substituted ethyl acetate (1.0 mmol)and Phenyliododiacetate (1.0 mmol) was dissolved in ethanol (5 ml) with constant stirring. After 10 minutes benzaldehyde/salicylaldehyde (1.0 mmol), was added and the mixture was allowed to stir for appropriate time. Then the progress of the reaction was monitored by thin layer chromatography. After completion of reaction as indicated by TLC, ethanol was evaporated under reduce pressure. The product was extracted with ethyl acetate, dried over Na

Uses

Blue-Fluorescent probe used as a reference standard

Computed Properties

Molecular Weight:187.15
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:187.026943022
Monoisotopic Mass:187.026943022
Topological Polar Surface Area:70.3
Heavy Atom Count:14
Complexity:339
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Cyano-7-hydroxycoumarin

Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Latest News
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3-Cyano-7-hydroxycoumarin

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