2-Methylfluorene

HCID 15026

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 1430-97-3
Standard SMILES: Cc1ccc2c(c1)Cc1ccccc1-2
InChIKey: RKJHJMAZNPASHY-UHFFFAOYSA-N
Molecular formula: C14H12
Average molar mass: 180.24 g/mol
Monoisotopic mass: 180.09390038

Names & identifiers

Preferred name: 2-Methylfluorene
IUPAC: 2-methyl-9H-fluorene
English name: 2-Methylfluorene
Molecular formula: C14H12
Molecular weight: 180.25

Names & synonyms

2-Methyl-9H-fluorene2-METHYLFLUORENE1430-97-39H-Fluorene, 2-methyl-2DUC7EB9MCEINECS 215-853-6NSC 90365NSC-90365FLUORENE,2-METHYL-DTXSID1073943RefChem:476049DTXCID8034661

Show more names

9H-FLOURENE,2-METHYL-

9H-Fluorene, 2-methyl-(9CI)215-853-6MFCD00040873Fluorene, 2-methyl-26914-17-0UNII-2DUC7EB9MCNSC903652-Methyl-9H-fluorene #

Database identifiers

CAS: 1430-97-3、26914-17-0
PubChem CID: 15026
DTXSID: DTXSID1073943
UNII: 2DUC7EB9MC
EC Number: 215-853-6、248-102-6
Nikkaji: J298.617E

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 208

Experimental & physicochemical properties

Kovats Retention Index · 2 items

1694.8；1712.7；1676；1678.1；1684；287.7；288.2

1720；1673；1673；287.75；277.2；288.28；288.28；288.29；288.42；288.7；287.7；288.21；288.4；272.1；287.7；288.09；288.78；288.21；288.22；286.72

Physicochemical properties

Melting point: 104 °C · 104 °C
Boiling point: 248.08 °C · 248.08°C (rough estimate)
Density: 1.0414 · 1.0414 (estimate)
refractive index: 1.485 · 1.4850 (estimate)
storage temp.: Store at Room Tem.
form: solid
color: Yellow
Henry's Law Constant: 8.6 · 8.6×10-2 mol/(m3Pa) at 25℃, Parnis et al. (2015)
FDA UNII: 2 DUC7EB9MC · 2DUC7EB9MC
EPA Substance Registry System: 2 · 2-Methylfluorene (1430-97-3)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 271 · P271-P261-P280
HS Code: 2902900000 · 2902900000

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Safety data

hs_code: 2902900000
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P271-P261-P280

Chemistry & industry

Applications · 1 item

Uses2-Methylfluorene is a polycyclic aromatic hydrocarbon most commonly found in diesel exhaust fumes and cigarette smoke. It is thought to contribute to overall impaired respiratory and cardiovasular function after prolonged periods of exposure in humans and may have tumorigenic and mutagenic qualities.