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| CAS No.: | 6098-46-0 |
|---|---|
| Name: | N-benzoyloxy-N-methyl-4-aminoazobenzene |
| Molecular Structure: | |
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| Formula: | C20H17 N3 O2 |
| Molecular Weight: | 331.374 |
| Synonyms: | Benzenamine,N-(benzoyloxy)-N-methyl-4-(phenylazo)- (9CI); Hydroxylamine,O-benzoyl-N-methyl-N-[p-(phenylazo)phenyl]- (7CI,8CI);4-[N-(Benzoyloxy)-N-methylamino]azobenzene;N-Benzoyloxy-N-methyl-4-aminoazobenzene |
| Density: | 1.13g/cm3 |
| Melting Point: | 89-91 °C |
| Boiling Point: | 487.1°C at 760 mmHg |
| Flash Point: | 248.4°C |
| Safety: | Questionable carcinogen with experimental neoplastigenic data. Mutation data reported. See also AZIDES. When heated to decomposition it emits toxic fumes of NOx. |
| PSA: | 54.26000 |
| LogP: | 5.31020 |
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Chemistry
Molecule structure of N-Benzoyloxy-N-methyl-4-aminoazobenzene (CAS NO.6098-46-0):
IUPAC Name: (N-Methyl-4-phenyldiazenylanilino) benzoate
Molecular Weight: 331.36788 g/mol
Molecular Formula: C20H17N3O2
Density: 1.13 g/cm3
Boiling Point: 487.1 °C at 760 mmHg
Flash Point: 248.4 °C
Index of Refraction: 1.594
Molar Refractivity: 99.19 cm3
Molar Volume: 292 cm3
Polarizability: 39.32×10-24 cm3
Surface Tension: 44.2 dyne/cm
Enthalpy of Vaporization: 75.29 kJ/mol
Vapour Pressure: 1.22E-09 mmHg at 25 °C
XLogP3-AA: 5.6
H-Bond Acceptor: 5
Rotatable Bond Count: 6
Exact Mass: 331.132077
MonoIsotopic Mass: 331.132077
Topological Polar Surface Area: 54.3
Heavy Atom Count: 25
Complexity: 434
Canonical SMILES: CN(C1=CC=C(C=C1)N=NC2=CC=CC=C2)OC(=O)C3=CC=CC=C3
InChI: InChI=1S/C20H17N3O2/c1-23(25-20(24)16-8-4-2-5-9-16)19-14-12-18(13-15-19)22-21-17-10-6-3-7-11-17/h2-15H,1H3
InChIKey: ORXVMYKUSMPAPZ-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | mmo-sat 100 nmol/plate | CALEDQ Cancer Letters (Shannon, Ireland). 1 (1975),91. | ||
| 2. | dnd-esc 60 mmol/L | CNREA8 Cancer Research. 40 (1980),2493. | ||
| 3. | dnd-rat:lvr 50 mmol/L | CBINA8 Chemico-Biological Interactions. 31 (1980),1. |
Consensus Reports
EPA Genetic Toxicology Program.
Safety Profile
Questionable carcinogen with experimental neoplastigenic data. Mutation data reported. See also AZIDES. When heated to decomposition it emits toxic fumes of NOx.
Specification
N-Benzoyloxy-N-methyl-4-aminoazobenzene (CAS NO.6098-46-0) is aslo named as BRN 1844284 ; Benzoyloxy-MAB ; CCRIS 803 ; Hydroxylamine, O-benzoyl-N-methyl-N-(p-(phenylazo)phenyl)- ; N-(Benzoyloxy)-N-methyl-4-(phenylazo)benzenamine ; O-Benzoyl-N-methyl-N-(p-(phenylazo)phenyl)hydroxylamine ; Benzenamine, N-(benzoyloxy)-N-methyl-4-(phenylazo)- (9CI) . N-Benzoyloxy-N-methyl-4-aminoazobenzene (CAS NO.6098-46-0) 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.