CAS No.64179-67-5,2,3-DIHYDRO-BENZO[1,4]DIOXINE-2-CARBALDEHYDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	64179-67-5
Name:	2,3-DIHYDRO-BENZO[1,4]DIOXINE-2-CARBALDEHYDE
Article Data:	4

Formula:	C₉H₈O₃
Molecular Weight:	164.161
Synonyms:	1,4-Benzodioxan-2-carboxaldehyde(7CI);2-Formyl-1,4-benzodioxane;
Density:	1.314 g/cm³
Boiling Point:	265.892 °C at 760 mmHg
Flash Point:	105.236 °C
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	35.53000
LogP:	1.02530

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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