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21124-09-4

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Basic Information
CAS No.: 21124-09-4
Name: 1-Ethyl-3-phenyltriazene
Molecular Structure:
Molecular Structure of 21124-09-4 (1-Ethyl-3-phenyltriazene)
Formula: C8H11N3
Molecular Weight: 149.195
Synonyms: N-ethyl-N'-phenyl-triazene;1-Ethyl-3-phenyltriazene;Ethylphenyltriazen;1-Phenyl-3-ethyl-triazen;N-Aethyl-N'-phenyl-triazen;Monoethylphenyltriazene;Phenylethyltriazen;Triazene,1-ethyl-3-phenyl;
Density: 1.02g/cm3
Boiling Point: 214.4°C at 760 mmHg
Flash Point: 83.5°C
Safety: An experimental teratogen. When heated to decomposition it emits toxic fumes of NOx.
PSA: 36.75000
LogP: 2.55860
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Chemistry

Molecule structure of Monoethylphenyltriazene (CAS NO.21124-09-4):

IUPAC Name: N-Ethyldiazenylaniline 
Molecular Weight: 149.19304 g/mol
Molecular Formula: C8H11N3 
Density: 1.02 g/cm3 
Boiling Point: 214.4 °C at 760 mmHg 
Flash Point: 83.5 °C
Index of Refraction: 1.54
Molar Refractivity: 45.83 cm3
Molar Volume: 145.9 cm3
Polarizability: 18.17×10-24 cm3
Surface Tension: 37 dyne/cm 
Enthalpy of Vaporization: 45.08 kJ/mol
Vapour Pressure: 0.156 mmHg at 25 °C
XLogP3-AA: 2.7
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Tautomer Count: 2
Exact Mass: 149.095297
MonoIsotopic Mass: 149.095297
Topological Polar Surface Area: 36.8
Heavy Atom Count: 11
Complexity: 117
Canonical SMILES: CCN=NNC1=CC=CC=C1
InChI: InChI=1S/C8H11N3/c1-2-9-11-10-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,9,10)
InChIKey of Monoethylphenyltriazene (CAS NO.21124-09-4): MGEGMYPZUSJCBH-UHFFFAOYSA-N

Safety Profile

An experimental teratogen. When heated to decomposition it emits toxic fumes of NOx.

Specification

 Monoethylphenyltriazene (CAS NO.21124-09-4) is also named as 1-Ethyl-3-phenyltriazene ; Triazene, 1-ethyl-3-phenyl- .