CAS 85-01-8 Phenanthrene Zone Refined (number of passes:30)

NAVIGATION

Phenanthrene Zone Refined (number of passes:30)

PRICE INQUIRY

Catalog Number

ACM85018-1

CAS Number

85-01-8

Product Name

Phenanthrene Zone Refined (number of passes:30)

Structure

Category

Other Material Building Blocks; Carbon Nanomaterials; Molecular Conductors

Description

Phenanthrene appears as colorless monoclinic crystals with a faint aromatic odor. Solutions exhibit a blue fluorescence. (NTP, 1992);Liquid;Colorless monoclinic crystals with a faint aromatic odor. Solutions exhibit a blue fluorescence.

IUPAC Name

phenanthrene

Molecular Weight

178.23g/mol

Molecular Formula

C14H10;C14H10

Canonical SMILES

C1=CC=C2C(=C1)C=CC3=CC=CC=C32

InChI

InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H

InChI Key

YNPNZTXNASCQKK-UHFFFAOYSA-N

Boiling Point

642 °F at 760 mm Hg (NTP, 1992);340.0 °C;338.4 °C;642°F

Melting Point

212 °F (NTP, 1992);99.2 °C;99 °C;212°F

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.

Application

Phenanthrene Zone Refined (number of passes: 30) serves as a highly purified form of phenanthrene, a polycyclic aromatic hydrocarbon (PAH) composed of three fused benzene rings. This compound, derived from coal tar, plays a crucial role in various industrial and research applications due to its unique chemical properties. Utilized extensively in the production of dyes, pharmaceuticals, and explosives, phenanthrene also holds significant value in biochemical research. It acts as a precursor in synthesizing important compounds like bile acids, cholesterol, and other steroids through its derivative, cyclopentanophenanthrene. This white crystalline substance, known for its weak aromatic odor and presence in cigarette smoke, exhibits valuable characteristics such as photosensitizing skin to light and possessing a blue fluorescence. The refined version ensures enhanced purity due to its multiple passes, making it particularly suitable for specialized applications that require high precision and quality.

Color/Form

Monoclinic plates from alcohol;Colorless, shining crystals;Leaves (sublimes)

Complexity

174

Covalently-Bonded Unit Count

EC Number

201-581-5

Exact Mass

178.07825g/mol

Formal Charge

Heat of Vaporization

75.50 kJ/mol at 25 °C

Heavy Atom Count

Log P

4.46 (LogP);log Kow = 4.46

MeSH Entry Terms

phenanthrene

Monoisotopic Mass

178.07825g/mol

NSC Number

26256

Odor

Faint aromatic odor

Other Experimental

Isomeric with anthracene; sublimes in high vacuum;Can be hydrogenated, nitrated, sulfonated, and halogenated at various positions; Forms a 9,10-ozonide from which a 2,2'-diformyl diphenyl can be obtained; Lithium, sodium, and potassium add at the 9,10- position; reacts with Nitrogen oxide and Nitrogen dioxide to form nitro derivatives.;Heat of formation: 116.2 kJ/mol (solid); 207.5 kJ/mol (gas). Molar entropy: 215.1 J/mol-K. Heat capacity: 220.6 J/mol-K;Heat of fusion: 16.46 kJ/mol;Sublimation pressure = 0.025 Pa at 300 K;Solutions exhibit a blue fluorescence;/Phenanthrene/ does not contain a group amenable to hydrolysis.;Henry's Law constant = 4.23X10-5 atm-cu m/mol at 25 °C;Hydroxyl radical reaction rate constant = 2.71X10-11 cu cm/molec-sec at 25 °C

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

Rotatable Bond Count

Stability

Stable under recommended storage conditions.

UNII

448J8E5BST

UN Number

1137

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

XLogP3