1,4-Benzodioxin-2-carboxaldehyde,2,3-dihydro- supplier

Name
2,3-DIHYDRO-BENZO[1,4]DIOXINE-2-CARBALDEHYDE
EINECS
CAS No. 64179-67-5
Article Data4
CAS DataBase
Density 1.314 g/cm³
Solubility
Melting Point
Formula C₉H₈O₃
Boiling Point 265.892 °C at 760 mmHg
Molecular Weight 164.161
Flash Point 105.236 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms 1,4-Benzodioxan-2-carboxaldehyde(7CI);2-Formyl-1,4-benzodioxane;
PSA 35.53000
LogP 1.02530

1,4-Benzodioxin-2-carboxaldehyde,2,3-dihydro- Specification

The 1,4-Benzodioxin-2-carboxaldehyde,2,3-dihydro-, with the CAS registry number 64179-67-5, is also known as 2-Formyl-1,4-benzodioxane. This chemical's molecular formula is C₉H₈O₃ and molecular weight is 164.16. Its IUPAC name is called 2,3-dihydro-1,4-benzodioxine-3-carbaldehyde.

Physical properties of 1,4-Benzodioxin-2-carboxaldehyde,2,3-dihydro-: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.733; (4)ACD/LogD (pH 7.4): 1.733; (5)ACD/BCF (pH 5.5): 12.219; (6)ACD/BCF (pH 7.4): 12.219; (7)ACD/KOC (pH 5.5): 208.796; (8)ACD/KOC (pH 7.4): 208.796; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.616; (13)Molar Refractivity: 43.635 cm³; (14)Molar Volume: 124.926 cm³; (15)Surface Tension: 53.287 dyne/cm; (16)Density: 1.314 g/cm³; (17)Flash Point: 105.236 °C; (18)Enthalpy of Vaporization: 50.384 kJ/mol; (19)Boiling Point: 265.892 °C at 760 mmHg; (20)Vapour Pressure: 0.009 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C(OC2=CC=CC=C2O1)C=O
(2)InChI: InChI=1S/C9H8O3/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-5,7H,6H2
(3)InChIKey: TVBNTFVSONEKOU-UHFFFAOYSA-N

Product Name

2,3-DIHYDRO-BENZO[1,4]DIOXINE-2-CARBALDEHYDE

1,4-Benzodioxin-2-carboxaldehyde,2,3-dihydro- Specification

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