1,4-Benzodioxin,6-bromo-2,3-dihydro-7-nitro- supplier

Name
6-BROMO-7-NITRO-2,3-DIHYDRO-1,4-BENZODIOXINE
EINECS
CAS No. 59820-92-7
Article Data2
CAS DataBase
Density 1.776 g/cm³
Solubility
Melting Point 171.9-172.1 °C
Formula C₈H₆BrNO₄
Boiling Point 311.9 °C at 760 mmHg
Molecular Weight 260.044
Flash Point 142.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 7-Nitro-6-bromo-2,3-dihydrobenzo[1,4]dioxin;6-Bromo-7-nitro-1,4-benzodioxane;6-Bromo-7-nitro-2,3-dihydro-1,4-benzodioxine;
PSA 64.28000
LogP 2.65170

1,4-Benzodioxin,6-bromo-2,3-dihydro-7-nitro- Specification

The 1,4-Benzodioxin,6-bromo-2,3-dihydro-7-nitro- is an organic compound with the formula C₈H₆BrNO₄. The IUPAC name of this chemical is 6-Bromo-7-nitro-2,3-dihydro-1,4-benzodioxine. With the CAS registry number 59820-92-7, it is also named as 6-Bromo-7-nitro-1,4-benzodioxane. Besides, its molecular weight is 260.04.

The physical properties of 1,4-Benzodioxin,6-bromo-2,3-dihydro-7-nitro- are: (1)ACD/LogP: 3.04; (2)ACD/LogD (pH 5.5): 3.04; (3)ACD/LogD (pH 7.4): 3.04; (4)ACD/BCF (pH 5.5): 119.47; (5)ACD/BCF (pH 7.4): 119.47; (6)ACD/KOC (pH 5.5): 1067.84; (7)ACD/KOC (pH 7.4): 1067.84; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 64.28 Å²; (11)Index of Refraction: 1.617; (12)Molar Refractivity: 51.26 cm³; (13)Molar Volume: 146.3 cm³; (14)Polarizability: 20.32×10^-24 cm³; (15)Surface Tension: 60.7 dyne/cm; (16)Density: 1.776 g/cm³; (17)Flash Point: 142.4 °C; (18)Enthalpy of Vaporization: 53.08 kJ/mol; (19)Boiling Point: 311.9 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2c(Br)cc1OCCOc1c2
(2)InChI: InChI=1/C8H6BrNO4/c9-5-3-7-8(14-2-1-13-7)4-6(5)10(11)12/h3-4H,1-2H2
(3)InChIKey: PBFAMONJVJBDQV-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C8H6BrNO4/c9-5-3-7-8(14-2-1-13-7)4-6(5)10(11)12/h3-4H,1-2H2
(5)Std. InChIKey: PBFAMONJVJBDQV-UHFFFAOYSA-N

Product Name

6-BROMO-7-NITRO-2,3-DIHYDRO-1,4-BENZODIOXINE

1,4-Benzodioxin,6-bromo-2,3-dihydro-7-nitro- Specification

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