Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzothiazole, 2-bromo-6-nitro- |
EINECS | N/A |
CAS No. | 2516-37-2 | Density | 1.929 g/cm3 |
PSA | 86.95000 | LogP | 3.49020 |
Solubility | N/A | Melting Point |
206-207 |
Formula | C7H3BrN2O2S | Boiling Point | 393.1 °C at 760 mmHg |
Molecular Weight | 259.083 | Flash Point | 191.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
6-Nitro-2-bromobenzothiazole;2-Bromo-6-nitrobenzothiazole; |
Article Data | 13 |
This chemical is called Benzothiazole, 2-bromo-6-nitro-, and its systematic name is 2-Bromo-6-nitrobenzothiazole. With the molecular formula of C7H3BrN2O2S, its molecular weight is 259.08. The CAS registry number of this chemical is 2516-37-2.
Other characteristics of the Benzothiazole, 2-bromo-6-nitro- can be summarised as followings: (1)ACD/LogP: 3.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.31; (4)ACD/LogD (pH 7.4): 3.31; (5)ACD/BCF (pH 5.5): 192.7; (6)ACD/BCF (pH 7.4): 192.7; (7)ACD/KOC (pH 5.5): 1503.6; (8)ACD/KOC (pH 7.4): 1503.6; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 86.95 Å2; (13)Index of Refraction: 1.751; (14)Molar Refractivity: 54.8 cm3; (15)Molar Volume: 134.2 cm3; (16)Polarizability: 21.72×10-24cm3; (17)Surface Tension: 74.4 dyne/cm; (18)Density: 1.929 g/cm3; (19)Flash Point: 191.6 °C; (20)Enthalpy of Vaporization: 61.79 kJ/mol; (21)Boiling Point: 393.1 °C at 760 mmHg; (22)Vapour Pressure: 4.93E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: [O-][N+](=O)c1ccc2nc(Br)sc2c1
2.InChI: InChI=1/C7H3BrN2O2S/c8-7-9-5-2-1-4(10(11)12)3-6(5)13-7/h1-3H
3.InChIKey: OEDLGBGVVRSXGG-UHFFFAOYAW