1,2-dihydroacenaphthylene

• ChemBase ID: 104078
• Molecular Formular: C12H10
• Molecular Mass: 154.2078
• Monoisotopic Mass: 154.07825032
• SMILES: C1Cc2c3c1cccc3ccc2
• Canonical SMILES: c1cc2cccc3c2c(c1)CC3
• InChI: InChI=1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2
• InChIKey: CWRYPZZKDGJXCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dihydroacenaphthylene
• IUPAC Traditional name: acenaphthene
• Synonyms: peri-Ethylenenaphthalene; Naphthyleneethylene; Acenaphthene solution; 1,8-Ethylenenaphthalene; ACENAPHTHENE; Acenaphthene; 1,8-ethyleneNaphthalene; Acenaphthene; 1,2-Dihydroacenaphthylene; NSC 7657; peri-Ethylenenaphthalene; 1,2-Dihydro Acenaphthylene; 苊 溶液; 萘乙环; 苊

Database IDs

• CAS Number: 83-32-9
• EC Number: 201-469-6; 200-659-6; 203-806-2
• MDL Number: MFCD00003807
• Beilstein Number: 386081
• Merck Index: 1428
• PubChem SID: 24872166; 24852888; 162091405; 24864861; 24890495
• PubChem CID: 6734
• CHEBI ID: 22154
• CHEMBL: 1797271
• Chemspider ID: 6478
• KEGG ID: C19312
• Unique Ingredient Identifier: V8UT1GAC5Y
• Wikipedia Title: Acenaphthene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.5258396
• LogD (pH = 7.4): 3.5258396
• Log P: 3.5258396
• Molar Refractivity: 50.7884 cm^3
• Polarizability: 20.82028 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 0.4 mg/100 ml in water; chloroform: soluble50 mg/mL, clear; slight in chloroform; slight in ethanol; soluble in acetic acid; very soluble in benzene
• Apperance: brown-beige crystalline; White or pale yellow crystalline powder
• Melting Point: 89-94 °C; 90-94 °C(lit.); 92 - 96.2 °C; 92-95 °C; 92-95°C; 92-96.2°C; 93.4°C
• Boiling Point: 277 °C at 1013 hPa; 278°C; 279 °C(lit.); 279°C
• Flash Point: -.4 °F; 11 °C; 125 °C; 135 °C; 135°C(275°F); -18 °C; 257 °F; 51.8 °F; ca. 135 °C (open cup and DIN 51584)
• Auto Ignition Point: >450 °C
• Density: 1.024 g/cm^3; 1.15; 1.15 g/cm^3 at 20 °C
• Vapor Pressure: .00267 hPa at 20 °C; 10 mmHg ( 131 °C)
• Vapor Density: 5.32 (vs air)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: AB1000000
• European Hazard Symbols: Flammable (F); Nature polluting (N); Toxic (T); Irritant (Xi); 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; 11-23/24/25-39/23/24/25-51/53; 11-38-50/53-65-67; 36/37/38-50/53; 51/53; R:45-36/37/38; R:45-58-36/37/38
• Safety Statements: 16-36/37-45-61; 26-36/37/39-60-61; 61; 7-16-36/37-45; 9-16-25-33-60-61-62; S:28-29-36/37/39-45-53; S:28-29-36/37/39-45-53-61
• Emergency Response Guidebook(ERG) Number: 171
• TSCA Listed: 是
• EU Index: Not listed
• GHS Pictograms: GHS02; GHS06; GHS07; GHS08; GHS09
• GHS Signal Word: Danger; Warning
• NFPA704:
  

  1

  2

  1
• GHS Hazard statements: H225-H301-H311-H331-H370; H225-H301-H311-H331-H370-H411; H225-H304-H315-H336-H410; H315-H319-H335-H410; H411-H401
• GHS Precautionary statements: P210-P260-P273-P280-P301 + P310-P311; P210-P260-P280-P301 + P310-P311; P210-P261-P273-P301 + P310-P331-P501; P261-P273-P305 + P351 + P338-P501; P273
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) 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% (HPLC); ≥99.0% (HPLC); 97%; 98%; 99%
• Concentration: 100 ng/μL in cyclohexane; 200 μg/mL in methanol; 5000 μg/mL in methanol
• Grade: analytical standard; analytical standard, for environmental analysis; purum; technical; TraceCERT®
• Packaging: ampule of 1 mL
• Shelf Life: (limited shelf life, expiry date on the label)
• Empirical Formula (Hill Notation): C12H10

DETAILS

MP Biomedicals - 02154669

(1,8-Ethylenenaphthalene) Purity: 97%.

Sigma Aldrich - 215376

Packaging
1, 5 g in glass bottle
100 g in poly bottle

Sigma Aldrich - A104

Packaging
1 kg in glass bottle
250 g in glass bottle

Sigma Aldrich - 05426

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 - D448330

Polycyclic aromatic hydrocarbons as carcinogenic agents.

REFERENCES

• Hansen, B., et al.: Environ. Toxicol. Chem., 18, 772 (1999)
• Czub, G., et al.: Environ. Sci. Technol., 38, 2406 (1999)