CAS No.2516-37-2,2-BROMO-6-NITROBENZOTHIAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2516-37-2
Name:	2-BROMO-6-NITROBENZOTHIAZOLE
Article Data:	13

Formula:	C₇H₃BrN₂O₂S
Molecular Weight:	259.083
Synonyms:	6-Nitro-2-bromobenzothiazole;2-Bromo-6-nitrobenzothiazole;
Density:	1.929 g/cm³
Melting Point:	206-207
Boiling Point:	393.1 °C at 760 mmHg
Flash Point:	191.6 °C
Hazard Symbols:	Xi
PSA:	86.95000
LogP:	3.49020

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Specification

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