9,10-dimethylanthracene

• ChemBase ID: 104937
• Molecular Formular: C16H14
• Molecular Mass: 206.28236
• Monoisotopic Mass: 206.10955045
• SMILES: Cc1c2ccccc2c(C)c2ccccc12
• Canonical SMILES: Cc1c2ccccc2c(c2c1cccc2)C
• InChI: InChI=1S/C16H14/c1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16/h3-10H,1-2H3
• InChIKey: JTGMTYWYUZDRBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9,10-dimethylanthracene
• IUPAC Traditional name: 9,10-dimethylanthracene
• Synonyms: 9,10-Dimethylanthracene; 9,10-DIMETHYLANTHRACENE; 9,10-二甲基蒽

Database IDs

• CAS Number: 781-43-1
• EC Number: 212-308-4
• MDL Number: MFCD00001262
• Beilstein Number: 1909028
• PubChem SID: 24864167; 24869395; 162092057; 24893449
• PubChem CID: 13076

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.979042
• LogD (pH = 7.4): 4.979042
• Log P: 4.979042
• Molar Refractivity: 69.0408 cm^3
• Polarizability: 29.261795 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 176-180 °C; 182-184 °C(lit.); 182-184°C; 182-184°C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: CA9685000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21-42/43; 40-68; R:22
• Safety Statements: 36/37; 36/39; S:36/37/39
• TSCA Listed: 否
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H312-H317-H332-H334; H341-H351
• GHS Precautionary statements: P261-P280-P342 + P311; P281-P201-P202-P308+P313-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: ≥95.0% (HPLC); 98%; 99%
• Grade: analytical standard, for environmental analysis; purum
• Empirical Formula (Hill Notation): C16H14

DETAILS

MP Biomedicals - 02157803

Crystalline

MP Biomedicals - 05207056

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D146706

Packaging
1 g in glass bottle