| Identification | More | [Name]
Coumarin-3-carboxylic acid | [CAS]
531-81-7 | [Synonyms]
1-OXO-2H-BENZOPYRAN-3-CARBOXYLIC ACID
2-OXO-2H-1-BENZOPYRAN-3-CARBOXYLIC ACID
2-OXO-2H-CHROMENE-3-CARBOXYLIC ACID
AKOS BC-1493
AURORA 2057
COUMARIN-3-CARBOXYLIC ACID
CUMARIN-3-CARBOXYLIC ACID
OTAVA-BB BB0125160098
RARECHEM AB KA K006
2H-1-Benzopyran-3-carboxylic acid, 2-oxo-
2-oxo-2h-1-benzopyran-3-carboxylicaci
2-Oxobenzopyran-3-carboxylic acid
2-Oxobenzopyran-3-carboxylicacid
3-Carboxycoumarin
g1(rodenticide)
Malonic acid, salicylidene-, delta-lactone
CUMARINE-3-CARBOXYLIC ACID
Coumarin Carboxylic Acid
Coumarin-3-carboxylicacid,98%
Coumarin-3-carboxylic acid 97% | [EINECS(EC#)]
208-518-0 | [Molecular Formula]
C10H6O4 | [MDL Number]
MFCD00006852 | [Molecular Weight]
190.15 | [MOL File]
531-81-7.mol |
| Chemical Properties | Back Directory | [Appearance]
light brown crystalline powder | [Melting point ]
189-192 °C (lit.) | [Boiling point ]
248.82°C (rough estimate) | [density ]
1.2599 (rough estimate) | [refractive index ]
1.5380 (estimate) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
13g/l | [form ]
Crystalline Powder | [pka]
1.84±0.20(Predicted) | [color ]
Light brown | [Water Solubility ]
13 g/L (37 ºC) | [λmax]
290nm(Phosphate buffer sol.)(lit.) | [Merck ]
14,2563 | [BRN ]
154276 | [InChI]
1S/C10H6O4/c11-9(12)7-5-6-3-1-2-4-8(6)14-10(7)13/h1-5H,(H,11,12) | [InChIKey]
ACMLKANOGIVEPB-UHFFFAOYSA-N | [SMILES]
OC(=O)C1=Cc2ccccc2OC1=O | [CAS DataBase Reference]
531-81-7(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzopyran-3-carboxylic acid, 2h-1-, 2-oxo(531-81-7) |
| Safety Data | Back Directory | [Hazard Codes ]
T,Xi | [Risk Statements ]
R25:Toxic if swallowed. | [Safety Statements ]
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . | [RIDADR ]
UN 2811 6.1/PG 3
| [WGK Germany ]
3
| [RTECS ]
DJ2490000
| [F ]
8 | [HazardClass ]
6.1 | [PackingGroup ]
II | [HS Code ]
29322090 | [Storage Class]
6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | [Hazard Classifications]
Acute Tox. 3 Oral |
| Hazard Information | Back Directory | [Chemical Properties]
light brown crystalline powder | [Uses]
Coumarin-3-carboxylic acid is used as pharmaceutical intermediate. | [Definition]
ChEBI: 2-oxo-2H-chromene-3-carboxylic acid is a member of coumarins. | [Purification Methods]
The acid crystallises from water. [Beilstein 18/8 V 323.] |
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