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55398-25-9

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Basic Information
CAS No.: 55398-25-9
Name: N-(Benzoyloxy)-N-methyl-4-[(4-methylphenyl)azo]benzenamine
Molecular Structure:
Molecular Structure of 55398-25-9 (N-(Benzoyloxy)-N-methyl-4-[(4-methylphenyl)azo]benzenamine)
Formula: C21H19 N3 O2
Molecular Weight: 345.43
Synonyms: Benzenamine,N-(benzoyloxy)-N-methyl-4-[(4-methylphenyl)azo]- (9CI); 4-[N-(Benzoyloxy)-N-methylamino]-4'-methylazobenzene;N-Benzoyloxy-4'-methyl-N-methyl-4-aminoazobenzene
Density: 1.12g/cm3
Boiling Point: 500.6°Cat760mmHg
Flash Point: 256.5°C
Safety: Questionable carcinogen with experimental neoplastigenic data. See also AZIDES. When heated to decomposition it emits toxic fumes of NOx.
PSA: 54.26000
LogP: 5.61860
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    55398-25-9 N-(Benzoyloxy)-N-methyl-4-[(4-methylphenyl)azo]benzenamine

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    Benzoic acid,methyl[4-[2-(4-methylphenyl)diazenyl]phenyl]azanyl ester

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  • [N-methyl-4-(4-methylphenyl)diazenylanilino] benzoate

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    [N-methyl-4-(4-methylphenyl)diazenylanilino] benzoate

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Chemistry

Molecule structure of N-Benzoyloxy-4'-methyl-N-methyl-4-aminoazobenzene (CAS NO.55398-25-9):

IUPAC Name: [N-Methyl-4-(4-methylphenyl)diazenylanilino] benzoate 
Molecular Weight: 345.39446 g/mol
Molecular Formula: C21H19N3O2 
Density: 1.12 g/cm3 
Boiling Point: 500.6 °C at 760 mmHg 
Flash Point: 256.5 °C
Index of Refraction: 1.589
Molar Refractivity: 103.61 cm3
Molar Volume: 307.2 cm3
Polarizability: 41.07×10-24 cm3
Surface Tension: 42.4 dyne/cm 
Enthalpy of Vaporization: 76.92 kJ/mol
Vapour Pressure: 3.76E-10 mmHg at 25 °C
XLogP3-AA: 5.9
H-Bond Acceptor: 5
Rotatable Bond Count: 6
Exact Mass: 345.147727
MonoIsotopic Mass: 345.147727
Topological Polar Surface Area: 54.3
Heavy Atom Count: 26
Complexity: 460
Canonical SMILES: CC1=CC=C(C=C1)N=NC2=CC=C(C=C2)N(C)OC(=O)C3=CC=CC=C3
InChI: InChI=1S/C21H19N3O2/c1-16-8-10-18(11-9-16)22-23-19-12-14-20(15-13-19)24(2)26-21(25)17-6-4-3-5-7-17/h3-15H,1-2H3
InChIKey: JQCSHZDWHXXNQQ-UHFFFAOYSA-N

Safety Profile

Questionable carcinogen with experimental neoplastigenic data. See also AZIDES. When heated to decomposition it emits toxic fumes of NOx.

Specification

 N-Benzoyloxy-4'-methyl-N-methyl-4-aminoazobenzene (CAS NO.55398-25-9) is also named as Benzoic acid, ester with N-methyl-N-(p-(p-methylphenylazo)phenyl)hydroxylamine . N-Benzoyloxy-4'-methyl-N-methyl-4-aminoazobenzene (CAS NO.55398-25-9) is toxic. It is flammable. It will produce toxic nitrogen oxide fumes when buring. So the storage environment should be ventilate, low-temperature and dry.