Ethanol,2-[(5-nitro-2-benzothiazolyl)amino]- supplier

Name
2-[(5-nitrobenzothiazol-2-yl)amino]ethanol
EINECS 278-891-2
CAS No. 78291-25-5
Density 1.578 g/cm³
Solubility
Melting Point
Formula C₉H₉N₃O₃S
Boiling Point 447.3 °C at 760 mmHg
Molecular Weight 239.255
Flash Point 224.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-[(5-nitro-1,3-benzothiazol-2-yl)amino]ethanol;
PSA 122.44000
LogP 1.55380

Ethanol,2-[(5-nitro-2-benzothiazolyl)amino]- Specification

The CAS registry number of Ethanol,2-[(5-nitro-2-benzothiazolyl)amino]- is 78291-25-5. This chemical is also named as 2-[(5-Nitrobenzothiazol-2-yl)amino]ethanol. Its EINECS registry number is 278-891-2. In addition, its molecular formula is C₉H₉N₃O₃S and molecular weight is 239.25106. Its systematic name and IUPAC name are the same which is called 2-[(5-nitro-1,3-benzothiazol-2-yl)amino]ethanol.

Physical properties about Ethanol,2-[(5-nitro-2-benzothiazolyl)amino]- are: (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.33; (4)ACD/LogD (pH 7.4): 1.33; (5)ACD/BCF (pH 5.5): 6.03; (6)ACD/BCF (pH 7.4): 6.03; (7)ACD/KOC (pH 5.5): 125.99; (8)ACD/KOC (pH 7.4): 126; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.768; (13)Molar Refractivity: 62.89 cm³; (14)Molar Volume: 151.5 cm³; (15)Surface Tension: 84.3 dyne/cm; (16)Density: 1.578 g/cm³; (17)Flash Point: 224.3 °C; (18)Enthalpy of Vaporization: 74.37 kJ/mol; (19)Boiling Point: 447.3 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cc2nc(sc2cc1)NCCO
(2)InChI: InChI=1/C9H9N3O3S/c13-4-3-10-9-11-7-5-6(12(14)15)1-2-8(7)16-9/h1-2,5,13H,3-4H2,(H,10,11)
(3)InChIKey: ZIOCRCDLXZNNCB-UHFFFAOYAO

Product Name

2-[(5-nitrobenzothiazol-2-yl)amino]ethanol

Ethanol,2-[(5-nitro-2-benzothiazolyl)amino]- Specification

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