Phenanthrene

Catalog	ACM85018
CAS	85-01-8
Structure
Category	Environmental Standards
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.
Synonyms	Phenanthren
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%
EC Number	201-581-5
Grade	sublimed grade
LogP	4.46 (LogP);log Kow = 4.46
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
Stability	Stable under recommended storage conditions.
Vapor Density	6.14 (NTP, 1992) (Relative to Air);6.15 (Air = 1) at boiling point of phenanthrene;6.14
Vapor Pressure	1 mm Hg at 68 °F (NTP, 1992);1.21e-04 mmHg;1.21X10-4 mm Hg at 25 °C;1 mmHg

Our products and services are for research use only.