(2H10)-9H-fluorene

• ChemBase ID: 151877
• Molecular Formular: C13H10
• Molecular Mass: 166.2185
• Monoisotopic Mass: 166.07825032
• SMILES: c1ccc2c(c1)c1ccccc1C2
• 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: (^2H₁₀)-9H-fluorene
• IUPAC Traditional name: (^2H₁₀)fluorene
• Synonyms: Fluorene-d10; 芴-d10

Database IDs

• CAS Number: 81103-79-9
• EC Number: 201-695-5
• MDL Number: MFCD00144313
• PubChem SID: 24869149; 24868024; 162246023
• PubChem CID: 6913203

CALCULATED PROPERTIES

• LogD (pH = 7.4): 3.7390194
• Log P: 3.7390194
• Molar Refractivity: 54.8734 cm^3
• Polarizability: 22.656483 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 17.789726
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.7390194

PROPERTIES

Physical Property

• Melting Point: 115-118 °C(lit.)
• Flash Point: 151 °C; 303.8 °F
• Mass Shift: M+10

Safety Information

• RTECS: LL5670000
• UN Number: 3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• GHS Hazard statements: H413
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• RID/ADR: UN 3077 9/PG 3

Product Information

• Purity: 99% (CP)
• Grade: analytical standard
• Isotopic Purity: 98 atom % D
• Packaging: ampule of 50 mg
• Mol. Weight: mol wt 176.18 by atom % calculation
• Empirical Formula (Hill Notation): C13D10

DETAILS

Sigma Aldrich - 456284

Packaging
1 g in glass bottle
100 mg in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.