4442-54-0
1,4-Benzodioxane-6-carboxylic acid
CAS: 4442-54-0
Molecular Formula: C9H8O4
4442-54-0 - Names and Identifiers
| Name | 1,4-Benzodioxane-6-carboxylic acid |
| Synonyms | TIMTEC-BB SBB007047 RARECHEM AL BO 1905 1,4-Benzodioxane-6- 1,4-Benzodioxane-6-carboxylic acid 2,3-dihydro-1,4-benzodioxine-6-carboxylate 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid 2,3-Dihydro-1,4-benzodioxine-6-carboxylic acid 2,3-DIHYDRO-1,4-BENZODIOXINE-6-CARBOXYLIC ACID 2,3-DIHYDRO-BENZO[1,4]DIOXINE-6-CARBOXYLIC ACID 2,3-DIHYDROBENZO[B][1,4]DIOXINE-6-CARBOXYLIC ACID |
| CAS | 4442-54-0 |
| InChI | InChI=1/C9H8O4/c10-9(11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5H,3-4H2,(H,10,11)/p-1 |
| InChIKey | JWZQJTGQFHIRFQ-UHFFFAOYSA-N |
4442-54-0 - Physico-chemical Properties
| Molecular Formula | C9H8O4 |
| Molar Mass | 180.16 |
| Density | 1.376±0.06 g/cm3(Predicted) |
| Melting Point | 134-138°C(lit.) |
| Boling Point | 339.8±41.0 °C(Predicted) |
| Flash Point | 142°C |
| Solubility | Acetone (Slightly), DMSO (Slightly), Methanol (Slightly) |
| Vapor Presure | 3.48E-05mmHg at 25°C |
| Appearance | Crystalline Solid |
| Color | Pale brown |
| pKa | 4.37±0.20(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| MDL | MFCD00463509 |
4442-54-0 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| WGK Germany | 3 |
| Hazard Class | IRRITANT |
4442-54-0 - Reference Information
| Use | 2, 3-dihydro-1, 4-benzodiane -6-carboxylic acid can be used as an intermediate in pharmaceutical synthesis, which can be prepared by the reaction of 6-bromo-2, 3-dihydro-1, 4-benzodiane and formic acid, or 2, 3-dihydrobenzo [1,4] Preparation of dioxy -6-iodobenzene by reacting with malononitrile. |
Last Update：2024-04-09 19:05:12
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