1,4-Benzodioxin,2,3-dihydro-2-(iodomethyl)- supplier

Name
2-(IODOMETHYL)-1,4-BENZODIOXAN
EINECS
CAS No. 23785-19-5
Article Data4
CAS DataBase
Density 1.744 g/cm³
Solubility
Melting Point
Formula C₉H₉IO₂
Boiling Point 309 °C at 760 mmHg
Molecular Weight 276.071
Flash Point 140.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(Iodomethyl)-1,4-benzodioxan;
PSA 18.46000
LogP 2.26140

1,4-Benzodioxin,2,3-dihydro-2-(iodomethyl)- Specification

The 1,4-Benzodioxin,2,3-dihydro-2-(iodomethyl)-, with the CAS registry number 23785-19-5, is also known as 2-(Iodomethyl)-1,4-benzodioxan. This chemical's molecular formula is C₉H₉IO₂ and molecular weight is 276.071. What's more, its systematic name is 2-(Iodomethyl)-2,3-dihydro-1,4-benzodioxine.

Physical properties about 1,4-Benzodioxin,2,3-dihydro-2-(iodomethyl)- are: (1)ACD/LogP: 2.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.93; (4)ACD/LogD (pH 7.4): 2.93; (5)ACD/BCF (pH 5.5): 98.49; (6)ACD/BCF (pH 7.4): 98.49; (7)ACD/KOC (pH 5.5): 929.99; (8)ACD/KOC (pH 7.4): 929.99; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.607; (14)Molar Refractivity: 54.68 cm³; (15)Molar Volume: 158.2 cm³; (16)Polarizability: 21.68×10^-24 cm³; (17)Surface Tension: 50 dyne/cm; (18)Density: 1.744 g/cm³; (19)Flash Point: 140.7 °C; (20)Enthalpy of Vaporization: 52.78 kJ/mol; (21)Boiling Point: 309 °C at 760 mmHg; (22)Vapour Pressure: 0.0012 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: ICC1Oc2ccccc2OC1
(2) InChI: InChI=1/C9H9IO2/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7H,5-6H2
(3) InChIKey: TWFUOISHFCFZII-UHFFFAOYAJ

Product Name

2-(IODOMETHYL)-1,4-BENZODIOXAN

1,4-Benzodioxin,2,3-dihydro-2-(iodomethyl)- Specification

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