Phenanthrene

Description	Phenanthrene is a polycyclic aromatic hydrocarbon (PAH) which consists of three benzene rings that are prepared by Bardhan-Sengupta phenanthrene synthesis. Its properties include low volatility, high toxicity and resistance to microbial biodegradation.
IUPAC Name	phenanthrene
Molecular Weight	178.23
Molecular Formula	C14H10
Canonical SMILES	c1ccc2c(c1)ccc3ccccc23
InChI	1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H,YNPNZTXNASCQKK-UHFFFAOYSA-N
InChI Key	YNPNZTXNASCQKK-UHFFFAOYSA-N
Boiling Point	642 °F at 760 mm Hg (NTP, 1992)
Melting Point	98-100 °C (lit.)
Flash Point	340 °F (NTP, 1992);171 °C (340 °F) open cup;340°F
Density	1.025 (NTP, 1992);1.179 at 25 °C;1.025
Solubility	less than 1 mg/mL at 79° F (NTP, 1992);6.45e-06 M;In water, 1.10 mg/L at 25 deg (average of 14 measured values);In water, 1.15 mg/L at 25 °C;In water, 1.6 mg/L at 15 °C; 0.42 mg/L at 8.5 °C; 0.82 mg/L at 21 °C; 1.3 mg/L at 30 °C; In seawater: 0.6 mg/L at 22 °C;Soluble in organic solvents, especially in aromatic hydrocarbons. One gram dissolves in 60 mL cold, 10 mL boiling 95% alcohol, 25 mL absolute alcohol, 2.4 mL toluene or carbon tetrachloride, 2 mL benzene, 1 mL carbon disulfide, 3.3 mL anhydr ether. Soluble in glacial acetic acid.;Soluble in ethanol, diethyl ether, acetone, benzene, and carbon disulfide.
Storage	room temp
Assay	≥99.5%
BeilsteinREAXYS Number	1905428
EC Number	201-581-5
Form	crystals
Grade	sublimed grade
MDL Number	MFCD00001168
Packaging	1, 5 g in glass bottle
Quality Level	100
Refractive Index	Max absorption (heptane): 187.5 nm (log e = 4.48); 211.5 nm (log e= 4.57); Index of refraction: 1.59427; sadtler reference number: 810 (IR, prism); 8035 (IR, grating);Index of refraction: 1.5943
Vapor Pressure	1 mm Hg at 68 °F (NTP, 1992);1.21e-04 mmHg;1.21X10-4 mm Hg at 25 °C;1 mmHg