1,3-Benzodioxole,5-bromo-6-nitro- supplier

Name
5-BROMO-6-NITROBENZO(1,3)DIOXOLE
EINECS
CAS No. 7748-58-5
Article Data9
CAS DataBase
Density 1.912 g/cm³
Solubility
Melting Point
Formula C₇H₄BrNO₄
Boiling Point 292 ºC at 760 mmHg
Molecular Weight 246.017
Flash Point 130.4 ºC
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Benzene,1-bromo-4,5-(methylenedioxy)-2-nitro- (6CI,7CI,8CI);2-Bromo-3,4-methylenedioxynitrobenzene;2-Bromo-4,5-methylenedioxynitrobenzene;4-Bromo-5-nitro-1,2-methylenedioxybenzene;5-Bromo-6-nitro-1,3-benzodioxole;6-Nitro-5-bromobenzodioxol;
PSA 64.28000
LogP 2.60920

1,3-Benzodioxole,5-bromo-6-nitro- Specification

The 1,3-Benzodioxole,5-bromo-6-nitro-, with the CAS registry number 7748-58-5, is also known as 5-Bromo-6-nitrobenzo(1,3)dioxole. This chemical's molecular formula is C₇H₄BrNO₄ and molecular weight is 246.01. What's more, its systematic name is 5-Bromo-6-nitro-1,3-benzodioxole.

Physical properties of 1,3-Benzodioxole,5-bromo-6-nitro- are: (1)ACD/LogP: 2.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.92; (4)ACD/LogD (pH 7.4): 2.92; (5)ACD/BCF (pH 5.5): 98.19; (6)ACD/BCF (pH 7.4): 98.19; (7)ACD/KOC (pH 5.5): 927.94; (8)ACD/KOC (pH 7.4): 927.94; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 64.28 Å²; (13)Index of Refraction: 1.645; (14)Molar Refractivity: 46.64 cm³; (15)Molar Volume: 128.6 cm³; (16)Polarizability: 18.49×10^-24cm³; (17)Surface Tension: 67.4 dyne/cm; (18)Density: 1.912 g/cm³; (19)Flash Point: 130.4 °C; (20)Enthalpy of Vaporization: 51.02 kJ/mol; (21)Boiling Point: 292 °C at 760 mmHg; (22)Vapour Pressure: 0.00328 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cc2OCOc2cc1Br
(2)InChI: InChI=1S/C7H4BrNO4/c8-4-1-6-7(13-3-12-6)2-5(4)9(10)11/h1-2H,3H2
(3)InChIKey: WXXFALFBNSJISM-UHFFFAOYSA-N

Product Name

5-BROMO-6-NITROBENZO(1,3)DIOXOLE

1,3-Benzodioxole,5-bromo-6-nitro- Specification

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