Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Bromo-5-nitrotoluene |
EINECS | 257-955-3 |
CAS No. | 52488-28-5 | Density | 1.615 g/cm3 |
PSA | 45.82000 | LogP | 3.18890 |
Solubility | N/A | Melting Point |
68-72 °C |
Formula | C7H6BrNO2 | Boiling Point | 269.5 °C at 760 mmHg |
Molecular Weight | 216.034 | Flash Point | 120 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Toluene,3-bromo-5-nitro- (6CI,7CI); |
Article Data | 20 |
The Benzene,1-bromo-3-methyl-5-nitro-, with CAS registry number 52488-28-5, belongs to the following product categories: (1)Blocks; (2)Bromides; (3)NitroCompounds. It has the systematic name of 1-bromo-3-methyl-5-nitrobenzene. And the chemical formula of this chemical is C7H6BrNO2.
Physical properties of Benzene,1-bromo-3-methyl-5-nitro-: (1)ACD/LogP: 2.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.98; (4)ACD/LogD (pH 7.4): 2.98; (5)ACD/BCF (pH 5.5): 109.09; (6)ACD/BCF (pH 7.4): 109.09; (7)ACD/KOC (pH 5.5): 1000.56; (8)ACD/KOC (pH 7.4): 1000.56; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.82 Å2; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 45.31 cm3; (15)Molar Volume: 133.7 cm3; (16)Polarizability: 17.96×10-24cm3; (17)Surface Tension: 47.3 dyne/cm; (18)Enthalpy of Vaporization: 48.72 kJ/mol; (19)Vapour Pressure: 0.012 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc([N+]([O-])=O)cc(c1)C
(2)InChI: InChI=1/C7H6BrNO2/c1-5-2-6(8)4-7(3-5)9(10)11/h2-4H,1H3
(3)InChIKey: MWFDNXJPZUOTJB-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C7H6BrNO2/c1-5-2-6(8)4-7(3-5)9(10)11/h2-4H,1H3
(5)Std. InChIKey: MWFDNXJPZUOTJB-UHFFFAOYSA-N