-
Name
6-Benzofurancarboxaldehyde, 2,3-dihydro- (9CI)
- EINECS
- CAS No. 55745-96-5
- Article Data15
- CAS DataBase
- Density 1.222 g/cm3
- Solubility
- Melting Point
- Formula C9H8O2
- Boiling Point 268.7 °C at 760 mmHg
- Molecular Weight 148.15862
- Flash Point 126.9 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 2,3-Dihydrobenzofuran-6-carbaldehyde;
- PSA 26.30000
- LogP 1.43400
6-Benzofurancarboxaldehyde, 2,3-dihydro- (9CI) Specification
The CAS registry number of 6-Benzofurancarboxaldehyde, 2,3-dihydro- (9CI) is 55745-96-5. This chemical is also named as 2,3-Dihydrobenzofuran-6-carbaldehyde. It belongs to the product category of Aldehyde. In addition, its molecular formula is C9H8O2 and molecular weight is 148.15862. Its systematic name is called 2,3-dihydro-1-benzofuran-6-carbaldehyde.
Physical properties about this chemical are: (1)ACD/LogP: 1.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.65; (4)ACD/LogD (pH 7.4): 1.65; (5)ACD/BCF (pH 5.5): 10.6; (6)ACD/BCF (pH 7.4): 10.6; (7)ACD/KOC (pH 5.5): 188.64; (8)ACD/KOC (pH 7.4): 188.64; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.612; (13)Molar Refractivity: 42.17 cm3; (14)Molar Volume: 121.2 cm3; (15)Surface Tension: 50.4 dyne/cm; (16)Density: 1.222 g/cm3; (17)Flash Point: 126.9 °C; (18)Enthalpy of Vaporization: 50.68 kJ/mol; (19)Boiling Point: 268.7 °C at 760 mmHg; (20)Vapour Pressure: 0.00758 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1ccc2CCOc2c1
(2)InChI: InChI=1/C9H8O2/c10-6-7-1-2-8-3-4-11-9(8)5-7/h1-2,5-6H,3-4H2
(3)InChIKey: XSJAJQSDUJUNAI-UHFFFAOYAN
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