fluoranthene

• ChemBase ID: 127449
• Molecular Formular: C16H10
• Molecular Mass: 202.2506
• Monoisotopic Mass: 202.07825032
• SMILES: c1ccc2c(c1)c1cccc3c1c2ccc3
• Canonical SMILES: c1ccc2c(c1)c1cccc3c1c2ccc3
• InChI: InChI=1S/C16H10/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h1-10H
• InChIKey: GVEPBJHOBDJJJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: fluoranthene
• IUPAC Traditional name: fluoranthene
• Synonyms: Benzo[j,k]fluorene; Fluoranthene; Benzo(j; k)fluorene; Fluoranthene; Fluoranthene solution; 苯并[j,k]芴; 荧蒽; 荧蒽 溶液

Database IDs

• CAS Number: 206-44-0
• EC Number: 205-912-4; 200-838-9
• MDL Number: MFCD00001184
• Beilstein Number: 1907918
• PubChem SID: 24894957; 24872062; 24869014; 162221770; 24892199; 24864911; 24866541; 24872189
• PubChem CID: 9154
• CHEBI ID: 33083
• CHEMBL: 355014
• Chemspider ID: 8800
• KEGG ID: C19425
• Unique Ingredient Identifier: 360UOL779Z
• Wikipedia Title: Fluoranthene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.2839274
• LogD (pH = 7.4): 4.2839274
• Log P: 4.2839274
• Molar Refractivity: 66.7226 cm^3
• Polarizability: 30.029507 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 265 μg/l (25 °C) in water
• Apperance: Yellow to green needles
• Melting Point: 105-110 °C; 105-110 °C(lit.); 110.8 °C (384.0 K)
• Boiling Point: 375 °C (648 K); 384 °C(lit.)
• Flash Point: 11 °C; 198 °C; 210 °C (483 K); 388.4 °F; 51.8 °F
• Auto Ignition Point: ? °C (? K)
• Density: 1.252 g/cm3 (0 °C), solid
• Viscosity: 0.652 cP at 20 °C

Safety Information

• RTECS: LL4025000
• European Hazard Symbols: Flammable (F); Nature polluting (N); Toxic (T); Harmful (Xn)
• UN Number: 1230
• German water hazard class: 1; 2
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-23/24/25-39/23/24/25-50; 22-50; 40
• Safety Statements: 16-36/37-45-61; 23-24/25-36/37; 61
• GHS Pictograms: GHS02; GHS06; GHS07; GHS08; GHS09
• GHS Signal Word: Danger; Warning
• GHS Hazard statements: H225-H301-H311-H331-H370-H400; H302-H410; H351
• GHS Precautionary statements: P210-P260-P273-P280-P301 + P310-P311; P273-P501; P281
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 1230 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.5% (HPLC); 95+%; 98%
• Concentration: 200 μg/mL in methylene chloride; 5000 μg/mL in methanol
• Grade: analytical standard; analytical standard, for environmental analysis; BCR® certified Reference Material; certified reference material; purum; TraceCERT®
• Packaging: ampule of × 1 mL; ampule of 1 mL; ampule of 5000 mg
• Shelf Life: (limited shelf life, expiry date on the label)
• Empirical Formula (Hill Notation): C16H10

DETAILS

Sigma Aldrich - 423947

Packaging
25 g in poly bottle
5 g in glass bottle

Sigma Aldrich - F807

Packaging
25, 100, 500 g in poly bottle
5 g in glass bottle

Sigma Aldrich - BCR160R

Legal Information
BCR is a registered trademark of European Commission

Sigma Aldrich - 11474

General description
Certified content by quantitative NMR incl. uncertainty and expiry are given in the certificate.Download your certificate at: http://www.sigma-aldrich.com.
Legal Information
TraceCERT is a registered trademark of Sigma-Aldrich Co. LLC