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| CAS No.: | 184360-97-2 |
|---|---|
| Name: | 2,3-(METHYLENEDIOXY)BENZALDEHYDE |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C8H6O3 |
| Molecular Weight: | 206.198 |
| Synonyms: | 1, 3-Benzodioxole-4-carboxaldehyde; |
| EINECS: | 232-252-4 |
| Density: | 1.337 g/cm3 |
| Melting Point: | 34-36 °C (lit.) |
| Boiling Point: | 263.4 °C at 760 mmHg |
| Flash Point: | 103.7 °C |
| Safety: | 22-24/25 |
| PSA: | 35.53000 |
| LogP: | 1.22780 |
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- Total:4 Page 1 of 1 1
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Specification
The 1, 3-Benzodioxole-4-carbaldehyde, with the CAS registry number 184360-97-2, is also known as 1, 3-Benzodioxole-4-carboxaldehyde. It belongs to the product category of Aromatic Aldehydes & Derivatives (substituted). Its EINECS registry number is 232-252-4. This chemical's molecular formula is C8H6O3 and molecular weight is 150.13. What's more, its systematic name is 1, 3-Benzodioxole-4-carbaldehyde. In addition, the dust of this chemical can not be breathed. And you should avoid contacting with skin and eyes.
Physical properties about 1, 3-Benzodioxole-4-carbaldehyde are: (1)ACD/LogP: 1.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.31; (4)ACD/LogD (pH 7.4): 1.31; (5)ACD/BCF (pH 5.5): 5.85; (6)ACD/BCF (pH 7.4): 5.85; (7)ACD/KOC (pH 5.5): 123.18; (8)ACD/KOC (pH 7.4): 123.18; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.614; (14)Molar Refractivity: 39.16 cm3; (15)Molar Volume: 112.2 cm3; (16)Polarizability: 15.52×10-24 cm3; (17)Surface Tension: 56.4 dyne/cm; (18)Density: 1.337 g/cm3; (19)Flash Point: 103.7 °C; (20)Enthalpy of Vaporization: 50.12 kJ/mol; (21)Boiling Point: 263.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0103 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1cccc2OCOc12
(2) InChI: InChI=1/C8H6O3/c9-4-6-2-1-3-7-8(6)11-5-10-7/h1-4H,5H2
(3) InChIKey: QZMQKPGVXNSITP-UHFFFAOYAC