2H-1,5-Benzodioxepin-7-carbonylchloride, 3,4-dihydro- supplier

Name
3,4-DIHYDRO-2H-1,5-BENZODIOXEPINE-7-CARBONYL CHLORIDE
EINECS
CAS No. 306934-86-1
Density 1.308 g/cm³
Solubility
Melting Point
Formula C₁₀H₉ClO₃
Boiling Point 317.1 °C at 760 mmHg
Molecular Weight 212.63
Flash Point 138.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols C
Synonyms 3,4-Dihydro-2H-1,5-benzodioxepine-7-carbonyl chloride;
PSA 35.53000
LogP 2.22690

2H-1,5-Benzodioxepin-7-carbonylchloride, 3,4-dihydro- Specification

The 2H-1,5-Benzodioxepin-7-carbonylchloride, 3,4-dihydro- has the CAS registry number 306934-86-1. It belongs to the product category of Acidhalide. This chemical's molecular formula is C₁₀H₉ClO₃ and molecular weight is 212.63. What's more, its systematic name is 3,4-Dihydro-2H-1,5-benzodioxepine-7-carbonyl chloride.

Physical properties of 2H-1,5-Benzodioxepin-7-carbonylchloride, 3,4-dihydro- are: (1)ACD/LogP: 2.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.77; (4)ACD/LogD (pH 7.4): 2.77; (5)ACD/BCF (pH 5.5): 74.88; (6)ACD/BCF (pH 7.4): 74.88; (7)ACD/KOC (pH 5.5): 764.32; (8)ACD/KOC (pH 7.4): 764.32; (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: 1.551; (14)Molar Refractivity: 51.88 cm³; (15)Molar Volume: 162.4 cm³; (16)Polarizability: 20.56×10^-24cm³; (17)Surface Tension: 47.4 dyne/cm; (18)Density: 1.308 g/cm³; (19)Flash Point: 138.6 °C; (20)Enthalpy of Vaporization: 55.85 kJ/mol; (21)Boiling Point: 317.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000393 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)c2cc1OCCCOc1cc2
(2)InChI: InChI=1S/C10H9ClO3/c11-10(12)7-2-3-8-9(6-7)14-5-1-4-13-8/h2-3,6H,1,4-5H2
(3)InChIKey: DEUUMBWFBYMBNA-UHFFFAOYSA-N

Product Name

3,4-DIHYDRO-2H-1,5-BENZODIOXEPINE-7-CARBONYL CHLORIDE

2H-1,5-Benzodioxepin-7-carbonylchloride, 3,4-dihydro- Specification

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