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| CAS No.: | 82-07-5 |
|---|---|
| Name: | XANTHENE-9-CARBOXYLIC ACID |
| Molecular Structure: | |
|
|
|
| Formula: | C14H10O3 |
| Molecular Weight: | 226.232 |
| Synonyms: | Xanthene-9-carboxylicacid (6CI,7CI,8CI);9-Carboxyxanthene;9H-Xanthen-9-carboxylic acid;NSC 66208;Xanthanoic acid;Xanthenecarboxylic acid;Xanthine-9-carboxylic acid; |
| EINECS: | 201-394-9 |
| Density: | 1.335 g/cm3 |
| Melting Point: | 221-225 °C(lit.) |
| Boiling Point: | 391.3 °C at 760 mmHg |
| Flash Point: | 153.1 °C |
| Solubility: | Insoluble in water. |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36-37/39 |
| PSA: | 46.53000 |
| LogP: | 3.00880 |
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Chemistry
Molecular Formula: C14H10O3
Molar mass: 226.23 g/mol
EINECS: 201-394-9
Density: 1.335 g/cm3
Flash Point: 153.1 °C
Index of Refraction: 1.646
Boiling Point: 391.3 °C at 760 mmHg
Vapour Pressure: 7.99E-07 mmHg at 25°C
Melting point: 221-225 °C(lit.)
Appearance: Solid
Solubility: Methanol: 0.1 g/mL, clear
Product categories of Xanthene-9-carboxylic acid (CAS NO.82-07-5): Drug bulk;Heterocyclic Building Blocks;O-Containing;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts
Structure of Xanthene-9-carboxylic acid (CAS NO.82-07-5):
XLogP3-AA: 2.2
H-Bond Donor: 1
H-Bond Acceptor: 3
IUPAC Name: 9H-Xanthene-9-carboxylic acid
Canonical SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)O
InChI: InChI=1S/C14H10O3/c15-14(16)13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)13/h1-8,13H,(H,15,16)
InChIKey: VSBFNCXKYIEYIS-UHFFFAOYSA-N
Uses
Xanthene-9-carboxylic acid (CAS NO.82-07-5) can be used of intermediate of anticholinergic drug: propantheline bromide.
Production
Take the mixture of Xanthene alcohol , Sodium cyanide , Acetic acid , Ethanol and water into the reaction tank for a confined heating and slowly heated to 95 °C at the pressure 0.1-0.2MPa for 6h. Then using lye for refluxing 20h, after that using Hydrochloric acid, at last, we will get: Xanthene-9-carboxylic acid (CAS NO.82-07-5).
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S37/39:Wear suitable gloves and eye/face protection.
Specification
Xanthene-9-carboxylic acid ,its cas register number is 82-07-5. It also can be called 9-Xanthenecarboxylic acid ; 9H-Xanthene-9-carboxylic acid ; Xanthenecarboxylic acid and Xanthanoic acid .