 Home > Encyclopedia > 3-Carbethoxycoumarin

3-Carbethoxycoumarin

3-Carbethoxycoumarin structure

CAS No:
1846-76-0
Formula:
C12H10O4
Chemical Name:
3-Carbethoxycoumarin
Synonyms:
2H-1-Benzopyran-3-carboxylic acid,2-oxo-,ethyl ester;3-Ethoxycarbonylcoumarin;Ethyl 3-coumarincarboxylate;3-Carbethoxycoumarin;Ethyl 2-oxo-2H-1-benzopyran-3-carboxylate;Ethyl 2H-2-oxo-1-benzopyran-3-carboxylate;2-Oxo-2H-1-benzopyran-3-carboxylic acid ethyl ester;NSC 620;Ethyl 2H-1-benzopyran-2-oxo-3-carboxylate;2-Oxo-2H-chromene-3-carboxylic acid ethyl ester
Categories:
Chemical Reagents > Organic Reagents

Request for Quotation

Description

slightly yellow crystalline powder

3-Carbethoxycoumarin Basic Attributes

Molecular Weight：

218.21

Exact Mass：

218.21

BRN：

200147

EC Number：

208-518-0

UNII：

27EAZ97E5V

NSC Number：

620

DSSTox ID：

DTXSID70171594

HScode：

29322090

Characteristics

PSA：

52.6

XLogP3：

1.91

Density：

1.1096 (rough estimate)

Melting Point：

92-94 °C

Boiling Point：

278.88°C (rough estimate)

Flash Point：

195.6±23.0 °C

Refractive Index：

1.4270 (estimate)

Safety Information

Hazard category：

IRRITANT

wgk germany：

safety instructions：

24/25

RTECS Number：

DJ2501000

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

ethyl 2-oxo-2H-chromene-3-carboxylate

Computed Properties

Molecular Weight:218.20
XLogP3:2.3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:218.05790880
Monoisotopic Mass:218.05790880
Topological Polar Surface Area:52.6
Heavy Atom Count:16
Complexity:332
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes