1,4-Benzodioxin-5-carboxaldehyde,2,3-dihydro- supplier

Name
2,3-DIHYDRO-1,4-BENZODIOXINE-5-CARBALDEHYDE
EINECS
CAS No. 29668-43-7
Article Data16
CAS DataBase
Density 1.262 g/cm³
Solubility
Melting Point 62 °C
Formula C₉H₈O₃
Boiling Point 116.1 °C
Molecular Weight 164.161
Flash Point 116.1 °C
Transport Information
Appearance
Safety 26
Risk Codes 36-52
Molecular Structure
Hazard Symbols Xi
Synonyms 1,4-Benzodioxan-5-carboxaldehyde(8CI);2,3-Dihydro-benzo[1,4]dioxine-5-carboxaldehyde;2,3-Dihydrobenzo[1,4]dioxin-5-carboxaldehyde;2,3-Ethylenedioxybenzaldehyde;4'-Formyl-1,4-benzodioxan;2,3-dihydro-1,4-benzodioxine-5-carbaldehyde;1,4-benzodioxin-5-carboxaldehyde, 2,3-dihydro-;
PSA 35.53000
LogP 1.27030

1,4-Benzodioxin-5-carboxaldehyde,2,3-dihydro- Specification

The 1,4-Benzodioxin-5-carboxaldehyde,2,3-dihydro-, with the CAS registry number 29668-43-7, has the systematic name of 2,3-dihydro-1,4-benzodioxine-5-carbaldehyde. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₉H₈O₃.

The characteristics of 1,4-Benzodioxin-5-carboxaldehyde,2,3-dihydro- are as followings: (1)ACD/LogP: 1.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.56; (4)ACD/LogD (pH 7.4): 1.56; (5)ACD/BCF (pH 5.5): 8.96; (6)ACD/BCF (pH 7.4): 8.96; (7)ACD/KOC (pH 5.5): 167.22; (8)ACD/KOC (pH 7.4): 167.22; (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: 1.588; (14)Molar Refractivity: 43.77 cm³; (15)Molar Volume: 130 cm³; (16)Polarizability: 17.35×10^-24cm³; (17)Surface Tension: 51.1 dyne/cm; (18)Density: 1.262 g/cm³; (19)Flash Point: 116.1 °C; (20)Enthalpy of Vaporization: 52.25 kJ/mol; (21)Boiling Point: 283.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00313 mmHg at 25°C.

Uses of 1,4-Benzodioxin-5-carboxaldehyde,2,3-dihydro-: It can react with cyanomethyl-phosphonic acid diethyl ester to produce 3-(2,3-dihydro-benzo[1,4]dioxin-5-yl)-acrylonitrile. And the yield is about 91%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=Cc2cccc1OCCOc12
(2)InChI: InChI=1/C9H8O3/c10-6-7-2-1-3-8-9(7)12-5-4-11-8/h1-3,6H,4-5H2
(3)InChIKey: BJXUCBAQZJITKD-UHFFFAOYAR

Product Name

2,3-DIHYDRO-1,4-BENZODIOXINE-5-CARBALDEHYDE

1,4-Benzodioxin-5-carboxaldehyde,2,3-dihydro- Specification

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