Basic Information | Post buying leads | Suppliers |
Name |
Benzene,1-bromo-4-(methylsulfonyl)-2-nitro- |
EINECS | N/A |
CAS No. | 94832-06-1 | Density | 1.759 g/cm3 |
PSA | 88.34000 | LogP | 3.36480 |
Solubility | N/A | Melting Point |
114-117 °C |
Formula | C7H6BrNO4S | Boiling Point | 392.5 °C at 760 mmHg |
Molecular Weight | 280.099 | Flash Point | 191.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
1-Bromo-4-(methylsulfonyl)-2-nitrobenzene; |
The Benzene,1-bromo-4-(methylsulfonyl)-2-nitro- is an organic compound with the formula C7H6BrNO4S. The systematic name of this chemical is 1-bromo-4-(methylsulfonyl)-2-nitrobenzene. With the CAS registry number 94832-06-1, it is also named as 1-Bromo-4-(methylsulphonyl)-2-nitrobenzene. The product's categories are Blocks; Bromides; NitroCompounds. In addition, the molecular weight is 280.1.
The other characteristics of Benzene,1-bromo-4-(methylsulfonyl)-2-nitro- can be summarized as: (1)ACD/LogP: 1.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.04; (4)ACD/LogD (pH 7.4): 1.04; (5)ACD/BCF (pH 5.5): 3.65; (6)ACD/BCF (pH 7.4): 3.65; (7)ACD/KOC (pH 5.5): 87.88; (8)ACD/KOC (pH 7.4): 87.88; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 88.34 Å2; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 53.95 cm3; (15)Molar Volume: 159.2 cm3; (16)Polarizability: 21.38×10-24 cm3; (17)Surface Tension: 53.8 dyne/cm; (18)Density: 1.759 g/cm3; (19)Flash Point: 191.2 °C; (20)Enthalpy of Vaporization: 61.72 kJ/mol; (21)Boiling Point: 392.5 °C at 760 mmHg; (22)Vapour Pressure: 5.15E-06 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:O=[N+]([O-])c1cc(ccc1Br)S(=O)(=O)C
2. InChI:InChI=1/C7H6BrNO4S/c1-14(12,13)5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3
3. InChIKey:ZRANEAXTVRBKGK-UHFFFAOYAB
4. Std. InChI:InChI=1S/C7H6BrNO4S/c1-14(12,13)5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3
5. Std. InChIKey:ZRANEAXTVRBKGK-UHFFFAOYSA-N