1,3-Benzodioxole,5,6-dichloro- supplier

Name
5,6-DICHLOROBENZO(1,3)DIOXOLE
EINECS
CAS No. 6120-31-6
Article Data2
CAS DataBase
Density 1.534 g/cm³
Solubility
Melting Point
Formula C₇H₄Cl₂O₂
Boiling Point 262.1 °C at 760 mmHg
Molecular Weight 191.01
Flash Point 112.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Benzene,1,2-dichloro-4,5-(methylenedioxy)- (6CI,7CI,8CI);4,5-Dichloro-1,2-methylenedioxybenzene;5,6-Dichloro-1,3-benzodioxole;NSC15634;5,6-Dichlorobenzo[d][1,3]dioxole;
PSA 18.46000
LogP 2.72210

1,3-Benzodioxole,5,6-dichloro- Specification

The 1,3-Benzodioxole,5,6-dichloro-, with the CAS registry number 6120-31-6, is also known as 4,5-Dichloro-1,2-methylenedioxybenzene. This chemical's molecular formula is C₇H₄Cl₂O₂ and molecular weight is 191.01. What's more, its systematic name is 5,6-Dichloro-1,3-benzodioxole.

Physical properties of 1,3-Benzodioxole,5,6-dichloro- are: (1)ACD/LogP: 3.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.41; (4)ACD/LogD (pH 7.4): 3.41; (5)ACD/BCF (pH 5.5): 230.33; (6)ACD/BCF (pH 7.4): 230.33; (7)ACD/KOC (pH 5.5): 1708.32; (8)ACD/KOC (pH 7.4): 1708.32; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 42.2 cm³; (15)Molar Volume: 124.5 cm³; (16)Polarizability: 16.73×10^-24cm³; (17)Surface Tension: 52 dyne/cm; (18)Density: 1.534 g/cm³; (19)Flash Point: 112.5 °C; (20)Enthalpy of Vaporization: 47.97 kJ/mol; (21)Boiling Point: 262.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0181 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc2OCOc2cc1Cl
(2)InChI: InChI=1S/C7H4Cl2O2/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-2H,3H2
(3)InChIKey: DVMBKYXRFLTGEH-UHFFFAOYSA-N

Product Name

5,6-DICHLOROBENZO(1,3)DIOXOLE

1,3-Benzodioxole,5,6-dichloro- Specification

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