Benzothiazole, 2-butoxy-6-nitro- supplier

Name
2-butoxy-6-nitro-1,3-benzothiazole
EINECS
CAS No. 5407-58-9
Density 1.316 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₂N₂O₃S
Boiling Point 375.9 °C at 760mmHg
Molecular Weight 252.294
Flash Point 181.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms NSC5448;
PSA
LogP

Benzothiazole, 2-butoxy-6-nitro- Specification

The Benzothiazole, 2-butoxy-6-nitro- is an organic compound with the molecular formula C₁₁H₁₂N₂O₃S. Its CAS registry number is 5407-58-9. The IUPAC name of this chemical is called 2-Butoxy-6-nitro-1,3-benzothiazole. What's more, the molecular weight of this chemical is 252.2896.

Physical properties about Benzothiazole, 2-butoxy-6-nitro- are: (1)ACD/LogP: 4.18; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 96.18 Å²; (7)Index of Refraction: 1.624; (8)Molar Refractivity: 67.69 cm³; (9)Molar Volume: 191.6 cm³; (10)Polarizability: 26.83×10^-24 cm³; (11)Surface Tension: 54.2 dyne/cm; (12)Density: 1.316 g/cm³; (13)Flash Point: 181.1 °C; (14)Enthalpy of Vaporization: 59.9 kJ/mol; (15)Boiling Point: 375.9 °C at 760 mmHg; (16)Vapour Pressure: 1.63E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1ccc2nc(OCCCC)sc2c1
(2) InChI: InChI=1/C11H12N2O3S/c1-2-3-6-16-11-12-9-5-4-8(13(14)15)7-10(9)17-11/h4-5,7H,2-3,6H2,1H3
(3) InChIKey: VUIYBOLQYRHLEV-UHFFFAOYAK

Product Name

2-butoxy-6-nitro-1,3-benzothiazole

Benzothiazole, 2-butoxy-6-nitro- Specification

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