1,2-dihydronaphthalene

• ChemBase ID: 106864
• Molecular Formular: C10H10
• Molecular Mass: 130.1864
• Monoisotopic Mass: 130.07825032
• SMILES: C1Cc2ccccc2C=C1
• Canonical SMILES: C1=Cc2c(CC1)cccc2
• InChI: InChI=1S/C10H10/c1-2-6-10-8-4-3-7-9(10)5-1/h1-3,5-7H,4,8H2
• InChIKey: KEIFWROAQVVDBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dihydronaphthalene
• IUPAC Traditional name: dialin
• Synonyms: 1,2-DIHYDRONAPHTHALENE; Δ1-Dialin; 1,2-Dialin; Dialin; 1,2-Dihydronaphthalene; 1,2-二氢萘

Database IDs

• CAS Number: 447-53-0
• EC Number: 207-183-8
• MDL Number: MFCD00001672
• Beilstein Number: 1851372
• PubChem SID: 24869394; 162087236; 24893339
• PubChem CID: 9938
• CHEBI ID: 38142
• Chemspider ID: 9550
• Wikipedia Title: Dialin

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1462784
• LogD (pH = 7.4): 3.1462784
• Log P: 3.1462784
• Molar Refractivity: 44.6568 cm^3
• Polarizability: 16.80315 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -8 °C(lit.); -9 - -8°C; ca -8°C
• Boiling Point: 88-89°C/16mm; 89 °C/16 mmHg(lit.)
• Flash Point: 152.6 °F; 67 °C; 74°C(165°F)
• Density: 0.997; 0.997 g/mL at 25 °C(lit.)
• Refractive Index: 1.5820; n20/D 1.582(lit.); n20/D 1.583
• Hydrophobicity(logP): 3.41

Safety Information

• RTECS: QJ4375000
• German water hazard class: 3
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H227; H319
• GHS Precautionary statements: P210-P280-P370+P378A-P403+P235-P501A; P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: ≥98.0% (GC); ≥99%; 95%; 96%; 98%
• Grade: analytical standard, for environmental analysis; purum
• Empirical Formula (Hill Notation): C10H10

DETAILS

MP Biomedicals - 05201676

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 430986

Packaging
1 g in glass bottle

Sigma Aldrich - D105937

Packaging
1, 10, 25 g in glass bottle