(2H8)naphthalene

• ChemBase ID: 106244
• Molecular Formular: C10H8
• Molecular Mass: 128.17052
• Monoisotopic Mass: 128.06260026
• SMILES: c1ccc2ccccc2c1
• Canonical SMILES: c1ccc2c(c1)cccc2
• InChI: InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H
• InChIKey: UFWIBTONFRDIAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₈)naphthalene
• IUPAC Traditional name: (^2H₈)naphthalene
• Synonyms: Naphthalene-d8; NAPHTHALENE-D₈; 萘-d8

Database IDs

• CAS Number: 1146-65-2
• EC Number: 214-552-7
• MDL Number: MFCD00001743
• PubChem SID: 162094245; 24867981; 24850547
• PubChem CID: 92148

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.9627225
• LogD (pH = 7.4): 2.9627225
• Log P: 2.9627225
• Molar Refractivity: 42.5082 cm^3
• Polarizability: 18.115602 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 80-82 °C(lit.)
• Boiling Point: 218 °C(lit.)
• Flash Point: 174.2 °F; 79 °C
• Vapor Pressure: 0.03 mmHg ( 25 °C)
• Vapor Density: 4.4 (vs air)
• Mass Shift: M+8

Safety Information

• UN Number: 1334
• German water hazard class: 3
• Hazard Class: 4.1
• Packing Group: 3
• GHS Pictograms: GHS02
• GHS Signal Word: Warning
• Explode Limits: 5.9 %
• GHS Hazard statements: H228
• GHS Precautionary statements: P210
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• RID/ADR: UN 1334 4.1/PG 3

Product Information

• Purity: 99%; 99% (CP)
• Grade: analytical standard
• Isotopic Purity: 99 atom % D
• Packaging: ampule of 250 mg
• Mol. Weight: mol wt 136.14 by atom % calculation
• Empirical Formula (Hill Notation): C10D8

DETAILS

MP Biomedicals - 02520396

C₁0D₈
Purity: 99% D atom

Sigma Aldrich - 176044

Packaging
1, 5, 10 g 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.