Basic Information | Post buying leads | Suppliers |
Name |
Acetonitrile; Oxoniobium; Trihydrochloride |
EINECS | N/A |
CAS No. | 7224-87-5 | Density | N/A |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C4H9Cl3N2NbO | Boiling Point | 63.5 °C at 760 mmHg |
Molecular Weight | 300.3924 | Flash Point | 5.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
N/A |
This product is an organic compound with the formula C4H9Cl3N2NbO. The product name and IUPAC name are the same which is called Acetonitrile; Oxoniobium; Trihydrochloride. Besides, the CAS registry number of this chemical is 7224-87-5. In addition, the molecular weight is 300.3924.
Physical properties Acetonitrile; Oxoniobium; Trihydrochloride are: (1)ACD/LogP: -0.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.45; (4)ACD/LogD (pH 7.4): -0.45; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.61; (8)ACD/KOC (pH 7.4): 13.61; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 23.79 Å2; (13)Flash Point: 5.6 °C; (14)Enthalpy of Vaporization: 29.75 kJ/mol; (15)Boiling Point: 63.5 °C at 760 mmHg; (16)Vapour Pressure: 171 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cl.N#CC.N#CC.[Nb]=O.Cl.Cl
(2) InChI: InChI=1/2C2H3N.3ClH.Nb.O/c2*1-2-3;;;;;/h2*1H3;3*1H;;/r2C2H3N.3ClH.NbO/c2*1-2-3;;;;1-2/h2*1H3;3*1H
(3) InChIKey: HXDIUWYSWAIMPW-CPYPQRQEAE