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N-Nitroso-N-phenylhydroxylamine aluminum salt

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Name

N-Nitroso-N-phenylhydroxylamine aluminum salt

EINECS 239-341-7
CAS No. 15305-07-4 Density 1.389[at 20℃]
PSA 167.19000 LogP 5.35410
Solubility 280μg/L at 20℃ Melting Point 167-170 °C
Formula C18H15AlN6O6 Boiling Point 243.8 °C at 760 mmHg
Molecular Weight 438.33 Flash Point 101.3 °C
Transport Information UN 2811 6.1/PG 3 Appearance N/A
Safety 22-36/37/39-45-26-53 Risk Codes 68-36/37/38-23/24/25-45
Molecular Structure Molecular Structure of 15305-07-4 (N-Nitroso-N-phenylhydroxylamine aluminum salt) Hazard Symbols ToxicT
Synonyms

Aluminum,tris(N-hydroxy-N-nitrosobenzenaminato-O,O')-;Aluminum,tris(N-nitroso-N-phenylhydroxylaminato)- (7CI,8CI);Benzenamine,N-hydroxy-N-nitroso-, aluminum complex;Aluminum cupferronate;Aluminum-N-nitroso-N-phenylhydroxyamine;FirstCure NPAL;NPAL;Q 1301;

 

N-Nitroso-N-phenylhydroxylamine aluminum salt Specification

The IUPAC name of Aluminum, tris(N-hydroxy-N-nitrosobenzenaminato-O,O')- is aluminum N-oxido-N-phenylnitrous amide. With the CAS registry number 15305-07-4, it is also named as Aluminum, tris(N-(hydroxy-kappaO)-N-(nitroso-kappaO)benzenaminato)-. The other registry numbers are 125159-19-5, 140165-51-1, 181823-32-5, 194208-41-8, 68336-93-6 and 7231-09-6. The product's category is Organometallics. In addition, it is used as UV curable coatings and inks.

The other characteristics of Aluminum, tris(N-hydroxy-N-nitrosobenzenaminato-O,O')- can be summarized as: (1)ACD/LogP: 1.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.24; (4)ACD/LogD (pH 7.4): -2.63; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Flash Point: 101.3 °C; (13)Enthalpy of Vaporization: 50.81 kJ/mol; (14)Boiling Point: 243.8 °C at 760 mmHg; (15)Vapour Pressure: 0.0169 mmHg at 25°C; (16)Rotatable Bond Count: 3; (17)Exact Mass: 438.086846; (18)MonoIsotopic Mass: 438.086846; (19)Topological Polar Surface Area: 167; (20)Heavy Atom Count: 31; (21)Complexity: 112.

When you are using this chemical, please be cautious about it as the following:
It is not only toxic by inhalation, in contact with skin and if swallowed, but also irritating to eyes, respiratory system and skin. And it may cause cancer. What't more, this chemical also has possible risk of irreversible effects. So people should not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) Avoid exposure - obtain special instructions before use.

People can use the following data to convert to the molecule structure. 
1. SMILES:[Al+3].O=NN([O-])c1ccccc1.[O-]N(N=O)c1ccccc1.[O-]N(N=O)c1ccccc1
2. InChI:InChI=1/3C6H5N2O2.Al/c3*9-7-8(10)6-4-2-1-3-5-6;/h3*1-5H;/q3*-1;+3
3. InChIKey:PMSRCBOGDIMQAT-UHFFFAOYAO

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