2-Methylphenanthrene

2-METHYLPHENANTHRENE · 2-methyl-phenanthren · PHENANTHRENE,2-METHYL- · 2-Methyl phenanthrene 10mg [2531-84-2] · 2-Methylphenanthrene@50 μg/mL in Toluene · 2-Methylphenanthrene 10 μg/mL in Cyclohexane

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2-Methylphenanthrene molecular structure

Identifiers & Physical Properties

CAS No.	2531-84-2
Molecular formula	C15H12
Average molar mass	192.25 g/mol
Monoisotopic mass	192.09390038 g/mol
SMILES	Cc1ccc2c(ccc3ccccc32)c1
InChIKey	KANLOADZXMMCQA-UHFFFAOYSA-N
PubChem CID	17321
ChEMBL	CHEMBL1797288
EC No.	219-791-0
DTXSID	DTXSID1025649

Chemical & Physical Properties

XLogP	5.2
Topological polar surface area	0
Hydrogen bond donors	0
Hydrogen bond acceptors	0
Rotatable bonds	0
Heavy atoms	15
Formal charge	0
Complexity	220
Polymers	Other Classes -> Polycyclic Aromatic HydrocarbonsPolycyclic aromatic hydrocarbon
LogP (partition coefficient)	5.24
Solubility	less than 1 mg/mL at 68 °F (NTP, 1992)Chloroform (Slightly), Ethyl Acetate (Slightly)
Boiling point	311 to 320 °F at 3 mmHg (NTP, 1992)353.25°C (rough estimate)
Melting point	135 to 138 °F (NTP, 1992)56.95°C
Vapor pressure	0.0000501 [mmHg]
Physical Description	2-methylphenanthrene is a white crystalline solid. (NTP, 1992)White solid[CAMEO]
Density	1.0561 (estimate)
Refractive index	1.6031 (estimate)
Physical state	Solid
Color	White to Off-White
CAS DataBase Reference	2531-84-2
FDA UNII	5IQJ3J6PN0
EPA Substance Registry System	2-Methylphenanthrene (2531-84-2)
GHS pictogram	GHS07,GHS09,GHS05
Signal word	Danger
GHS hazard statements	H410-H302-H318
GHS precautionary statements	P264-P270-P301+P312-P330-P501-P273-P391-P501-P280-P305+P351+P338-P310

Safety & Regulations

GHS classification	This chemical does not meet GHS hazard criteria for 7.3% (3 of 41) of reports.DangerH302 (92.7%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Fire hazards	Flash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health hazards	SYMPTOMS: Symptoms of exposure to this chemical include skin and eye irritation.
Hazards summary	A skin and eye irritant[CAMEO] A severe eye irritantHarmful by ingestion[Sigma-Aldrich MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS.
Reactive group	Hydrocarbons, Aromatic
Reactivity Profile	Vigorous reactions, sometimes amounting to explosions, can result from the contact between aromatic hydrocarbons, such as 2-METHYLPHENANTHRENE, and strong oxidizing agents. They can react exothermically with bases and with diazo compounds. Substitution at the benzene nucleus occurs by halogenation (acid catalyst), nitration, sulfonation, and the Friedel-Crafts reaction. This chemical may be sensitive to prolonged exposure to light.
Air and Water Reactions	Insoluble in water.
Hazard Classes and Categories	Acute Tox. 4 (92.7%)
Fire fighting	Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First aid	EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Applications & Uses

Uses

2-Methylphenanthrene is a polycyclic aromatic hydrocarbon pollutant from polystyrene plastic.

General Description

White crystalline solid.