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15305-07-4

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

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    15305-07-4

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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