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| CAS No.: | 55745-70-5 |
|---|---|
| Name: | 2,3-Dihydrobenzo[b]furan-5-carbaldehyde |
| Article Data: | 29 |
| Molecular Structure: | |
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| Formula: | C9H8O2 |
| Molecular Weight: | 148.161 |
| Synonyms: | 2,3-Dihydro-1-benzofuran-5-carboxaldehyde;2,3-Dihydro-5-benzofurancarboxaldehyde;2,3-Dihydrobenzofuran-5-carboxaldehyde;5-Formyl-2,3-dihydro-1-benzofuran;5-Formyl-2,3-dihydrobenzo[b]furan;5-Formyl-2,3-dihydrobenzofuran;5-Formylcoumaran; |
| EINECS: | 259-788-1 |
| Density: | 1.222 g/cm3 |
| Melting Point: | 191～193℃ |
| Boiling Point: | 277.5 °C at 760 mmHg |
| Flash Point: | 133.2 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 43 |
| Safety: | 37/39 |
| PSA: | 26.30000 |
| LogP: | 1.43400 |
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Specification
The IUPAC name of 2,3-Dihydrobenzo[beta]furan-5-carbaldehyde is 2,3-dihydro-1-benzofuran-5-carbaldehyde. With the CAS registry number 55745-70-5, it is also named as 5-Benzofurancarboxaldehyde,2,3-dihydro-. The product's categories are Aldehyde; Fluorobenzene; Carbonyl Compounds; Heterocycles; Heterocycle Intermediates; Aromatics Compounds; Furans; Aromatics; Pharmaceutical Intermediate; Benzofurans; Building Blocks; Heterocyclic Building Blocks. Besides, it should be stored in sealed container in a cool, dry place. And you should ensure that the workplaces have good ventilated or exhaust devices. In addition, its molecular formula is C9H8O2 and molecular weight is 148.16.
The other characteristics of this product can be summarized as: (1)EINECS: 259-788-1; (2)ACD/LogP: 1.71; (3)# of Rule of 5 Violations: 0; (4)#H bond acceptors: 2; (5)#H bond donors: 0; (6)#Freely Rotating Bonds: 1; (7)Polar Surface Area: 26.3 Å2; (8)Index of Refraction: 1.612; (9)Molar Refractivity: 42.17 cm3; (10)Molar Volume: 121.2 cm3; (11)Polarizability: 16.71×10-24cm3; (12)Surface Tension: 50.4 dyne/cm; (13)Density: 1.222 g/cm3; (14)Flash Point: 133.2 °C; (15)Enthalpy of Vaporization: 51.6 kJ/mol; (16)Boiling Point: 277.5 °C at 760 mmHg; (17)Vapour Pressure: 0.00452 mmHg at 25 °C.
Preparation of 2,3-Dihydrobenzo[beta]furan-5-carbaldehyde: this chemical can be prepared by 2,3-Dihydro-benzofuran and Bis-chloromethyl ether.
This reaction needs TiCl4. The yield is 55 %.
Uses of 2,3-Dihydrobenzo[beta]furan-5-carbaldehyde: it can react with Nitroethane to get 5-[1-(2-Nitropropenyl)]-2,3-dihydrobenzofuran.
This reaction needs Ammonium acetate at temperature of 110 °C for 3.5 hours. The yield is 67 %.
When you are using this chemical, please be cautious about it as the following: it may cause sensitization by skin contact.You should wear suitable gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=Cc2cc1c(OCC1)cc2
(2)InChI: InChI=1/C9H8O2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-2,5-6H,3-4H2
(3)InChIKey: WEBVDBDZSOJGPB-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C9H8O2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-2,5-6H,3-4H2
(5)Std. InChIKey: WEBVDBDZSOJGPB-UHFFFAOYSA-N