9H-fluorene

• ChemBase ID: 78369
• Molecular Formular: C13H10
• Molecular Mass: 166.2185
• Monoisotopic Mass: 166.07825032
• SMILES: c1ccc2c(c1)Cc1c2cccc1
• Canonical SMILES: c1ccc2c(c1)Cc1c2cccc1
• InChI: InChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2
• InChIKey: NIHNNTQXNPWCJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-fluorene
• IUPAC Traditional name: fluorene
• Synonyms: Fluorene solution; Diphenylenemethane; 2,2'-methylene biphenyl; o-Biphenylenemethane; FLUORENE; 9H-Fluorene; NSC 6787; Fluorene; 9H-fluorene; 2,2'-Methylenebiphenyl; 9H-Fluorene 98%; 芴 溶液; 芴

Database IDs

• CAS Number: 86-73-7
• EC Number: 200-659-6; 203-806-2; 201-695-5
• MDL Number: MFCD00001111
• Beilstein Number: 1363491; 3562815
• Merck Index: 144155
• PubChem SID: 24872116; 24847846; 24870536; 24864952; 162043138; 24872168
• PubChem CID: 6853
• CHEBI ID: 28266
• CHEMBL: 16236
• Chemspider ID: 6592
• KEGG ID: C07715
• Unique Ingredient Identifier: 3Q2UY0968A
• Wikipedia Title: Fluorene

CALCULATED PROPERTIES

• Acid pKa: 17.789726
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.7390194
• LogD (pH = 7.4): 3.7390194
• Log P: 3.7390194
• Molar Refractivity: 54.8734 cm^3
• Polarizability: 22.5309 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 1.992 mg/L in water; Chloroform; Hexane
• Apperance: White Solid
• Melting Point: 108-110°C; 111-114 °C(lit.); 111-116 °C; 112-115°C; 113-115 °C; 113-117°C; 116 - 117 deg. C; 116°C; 116-117 °C
• Boiling Point: 293 - 295 deg. C; 293°C; 295°C; 295°C; 298 °C(lit.)
• Flash Point: -.4 °F; 11 °C; 151 °C; 151°C; 151°C(303°F); -18 °C; 303.8 °F; 51.8 °F
• Density: 1.202; 1.202 g/mL
• Vapor Pressure: 3.2 x 10-4 mm Hg at 20 °C
• pKa: 22.6

Safety Information

• Storage Condition: Refrigerator; Room Temperature (15-30°C)
• Storage Warning: Irritant
• RTECS: LL5670000
• European Hazard Symbols: Flammable (F); Nature polluting (N); Toxic (T); Harmful (Xn)
• UN Number: 1145; 1230; 3077; UN3077
• German water hazard class: 1; 2; 3
• Hazard Class: 3; 9
• Packing Group: 2; 3; III
• Australian Hazchem: 2X
• Risk Statements: 11-23/24/25-39/23/24/25; 11-23/24/25-39/23/24/25-52/53; 11-38-50/53-65-67; 50/53; R:45-36/37/38-58
• Safety Statements: 16-36/37-45-61; 60-61; 61; 7-16-36/37-45; 9-16-25-33-60-61-62; S:28-29-36/37/39-45-53-61
• EU Classification: M7
• EU Hazard Identification Number: 13
• Emergency Response Guidebook(ERG) Number: 171
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS06; GHS07; GHS08; GHS09
• GHS Signal Word: Danger; Warning
• NFPA704:
  

  1

  1

  0
• GHS Hazard statements: H225-H301-H311-H331-H370; H225-H301-H311-H331-H370-H412; H225-H304-H315-H336-H410; H400-H410; H410; H413
• GHS Precautionary statements: P210-P260-P273-P280-P301 + P310-P311; P210-P260-P280-P301 + P310-P311; P210-P261-P273-P301 + P310-P331-P501; P273-P391-P501A; P273-P501
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• RID/ADR: UN 1145 3/PG 2; UN 1230 3/PG 2; UN 3077 9/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥95.0% (HPLC); ≥99.0% (HPLC); 98%; 98+%
• Concentration: 100 ng/μL in cyclohexane; 200 μg/mL in methanol; 5000 μg/mL in methanol
• Grade: analytical standard; analytical standard, for environmental analysis; certified reference material; purum; TraceCERT®
• Packaging: ampule of 1 mL; ampule of 5000 mg
• Shelf Life: (limited shelf life, expiry date on the label)
• Empirical Formula (Hill Notation): C13H10

DETAILS

MP Biomedicals - 02101710

Crystalline

MP Biomedicals - 05213107

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 128333

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

Sigma Aldrich - 46880

Packaging
100, 500 g in poly bottle
Quantity
λmax. 261 nm, log ε 4.28 (heptane)

Sigma Aldrich - 56849

Analysis Note
This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO Guide 34. This CRM is traceable to NIST SRM.
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

Toronto Research Chemicals - F462000

Polycyclic aromatic hydrocarbons as micropollutants.

REFERENCES

• Di Toro, D., et al.: Environ. Toxicol. Chem., 19, 1971 (2000)
• Vines, C., et al.: Aquat. Toxicol., 51, 225 (2000)
• Incardona, J., et al.: Toxicol. Appl. Pharmacol., 196, 191 (2000)
• Junghans, M., et al.: Aquat. Toxicol., 76, 93 (2000)
• Michael addition at C-9 to ɑ?-unsaturated ketones or esters occurs using TBAF as base; reaction is very slow using classical bases: Synthesis, 164 (1984).