2,3-dihydro-1H-indene

• ChemBase ID: 78338
• Molecular Formular: C9H10
• Molecular Mass: 118.1757
• Monoisotopic Mass: 118.07825032
• SMILES: c1cccc2c1CCC2
• Canonical SMILES: C1Cc2c(C1)cccc2
• InChI: InChI=1S/C9H10/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5H,3,6-7H2
• InChIKey: PQNFLJBBNBOBRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydro-1H-indene
• IUPAC Traditional name: indan
• Synonyms: Indan; INDAN; HYDRINDENE; 2,3-Dihydro-1H-indene; Indane; Benzocyclopentane; Hydrindene; 2,3-Dihydroindene; 1,2-Dihydroindene; Indane; 二氢化茚; 茚满

Database IDs

• CAS Number: 496-11-7
• EC Number: 207-814-7
• MDL Number: MFCD00003795
• Beilstein Number: 1904376
• Merck Index: 144931
• PubChem SID: 162043107; 24880448; 24869404; 24895949
• PubChem CID: 10326
• CHEBI ID: 37911
• CHEMBL: 370687
• Chemspider ID: 9903
• Wikipedia Title: Indane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.9809313
• LogD (pH = 7.4): 2.9809313
• Log P: 2.9809313
• Molar Refractivity: 38.9392 cm^3
• Polarizability: 15.02276 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Clear colorless liquid
• Melting Point: -51 °C(lit.); -51°C; -51°C
• Boiling Point: 175-177°C; 175-177°C; 176 °C(lit.); 176.5°C
• Flash Point: 122 °F; 129.2 °F; 50 °C; 50°C; 50°C(122°F); 54 °C
• Density: 0.962; 0.965 g/mL at 25 °C(lit.)
• Refractive Index: 1.537; 1.5370; n20/D 1.537; n20/D 1.537(lit.)

Safety Information

• Storage Warning: Flammable/Harmful
• RTECS: NK3750000
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: 3295; UN3295
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-65
• Safety Statements: 23-24/25-62; 62
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H304; H304-H226
• GHS Precautionary statements: P210-P241-P301+P310-P303+P361+P353-P405-P501A; P301 + P310-P331
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3295 3/PG 3

Pharmacology Properties

• Gene Information: human ... CYP1A2(1544)

Product Information

• Purity: ≥95% (GC); 95%
• Grade: analytical standard, for environmental analysis; technical
• Empirical Formula (Hill Notation): C9H10

DETAILS

MP Biomedicals - 05203995

MP Biomedicals Rare Chemical collection

MP Biomedicals - 05201638

MP Biomedicals Rare Chemical collection

Sigma Aldrich - I1804

Packaging
100, 500 mL in glass bottle