2H-1,5-Benzodioxepin,7-(chloromethyl)-3,4-dihydro- supplier

Name
7-(CHLOROMETHYL)-3,4-DIHYDRO-2H-1,5-BENZODIOXEPINE
EINECS
CAS No. 67869-70-9
Density 1.213 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₁ClO₂
Boiling Point 296.429 °C at 760 mmHg
Molecular Weight 198.65
Flash Point 123.16 °C
Transport Information
Appearance
Safety 26
Risk Codes C:Corrosive;
Molecular Structure
Hazard Symbols C
Synonyms 7-(Chloromethyl)-3,4-dihydro-2H-1,5-benzodioxepine;7-(Chloromethyl)-3,4-dihydro-2H-benzo[b][1,4]dioxepine;
PSA 18.46000
LogP 2.58670

2H-1,5-Benzodioxepin,7-(chloromethyl)-3,4-dihydro- Specification

The 2H-1,5-Benzodioxepin,7-(chloromethyl)-3,4-dihydro-, with the CAS registry number 67869-70-9, is also known as 7-(Chloromethyl)-3,4-dihydro-2H-benzo[b][1,4]dioxepine. It belongs to the product category of Halometyl. This chemical's molecular formula is C₁₀H₁₁ClO₂ and formula weight is 198.65. What's more, its IUPAC name is 7-(chloromethyl)-3,4-dihydro-2H-1,5-benzodioxepine.

Physical properties of 2H-1,5-Benzodioxepin,7-(chloromethyl)-3,4-dihydro- are: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.53; (4)ACD/BCF (pH 5.5): 49.261; (5)ACD/KOC (pH 5.5): 566.38; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 18.46 Å²; (10)Index of Refraction: 1.54; (11)Molar Refractivity: 51.403 cm³; (12)Molar Volume: 163.783 cm³; (13)Surface Tension: 42.413 dyne/cm; (14)Density: 1.213 g/cm³; (15)Flash Point: 123.16 °C; (16)Enthalpy of Vaporization: 51.475 kJ/mol; (17)Boiling Point: 296.429 °C at 760 mmHg; (18)Vapour Pressure: 0.003 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1COC2=C(C=C(C=C2)CCl)OC1
(2)InChI: InChI=1S/C10H11ClO2/c11-7-8-2-3-9-10(6-8)13-5-1-4-12-9/h2-3,6H,1,4-5,7H2
(3)InChIKey: PXZCFOABYOEFPQ-UHFFFAOYSA-N

Product Name

7-(CHLOROMETHYL)-3,4-DIHYDRO-2H-1,5-BENZODIOXEPINE

2H-1,5-Benzodioxepin,7-(chloromethyl)-3,4-dihydro- Specification

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