Molecular Structure of 3-Aminofluoranthene (CAS NO.2693-46-1):
IUPAC Name: fluoranthen-3-amine
Empirical Formula: C16H11N
Molecular Weight: 217.2652
H bond acceptors: 1
H bond donors: 2
Freely Rotating Bonds: 1
Polar Surface Area: 3.24 Å2
Index of Refraction: 1.904
Molar Refractivity: 76.7 cm3
Molar Volume: 164.2 cm3
Surface Tension: 70.2 dyne/cm
Density: 1.322 g/cm3
Flash Point: 246.2 °C
Enthalpy of Vaporization: 69.8 kJ/mol
Boiling Point: 440.8 °C at 760 mmHg
Vapour Pressure: 5.71E-08 mmHg at 25°C
EINECS: 220-263-7
Melting point:115-117 °C(lit.)
Product Categories: Aromatic Halides (substituted)
InChI
InChI=1/C16H11N/c17-15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-9H,17H2
Smiles
c12c3c4ccccc4c1cccc2c(N)cc3
Hazard Codes: Xn
Risk Statements: 22-51/53
R22:Harmful if swallowed.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 61
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR: UN 3077 9/PG 3
WGK Germany: 2
RTECS: LL4000000
3-Aminofluoranthene , with CAS number of 2693-46-1, can be called Timtec-bb sbb003376 ; 4-Aminofluoranthene ; 4-Fluoranthenamine ; fluoranthen-3-ylamine ; 3-Aminofluoranthene 95% . It is a yellow-green to brown crystalline powder.
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