9-methylanthracene

• ChemBase ID: 108454
• Molecular Formular: C15H12
• Molecular Mass: 192.25578
• Monoisotopic Mass: 192.09390038
• SMILES: Cc1c2ccccc2cc2c1cccc2
• Canonical SMILES: Cc1c2ccccc2cc2c1cccc2
• InChI: InChI=1S/C15H12/c1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13/h2-10H,1H3
• InChIKey: CPGPAVAKSZHMBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-methylanthracene
• IUPAC Traditional name: 9-methylanthracene
• Synonyms: 9-Methylanthracene; 9-METHYLANTHRACENE; 9-甲基蒽

Database IDs

• CAS Number: 779-02-2
• EC Number: 212-299-7
• MDL Number: MFCD00001261
• Beilstein Number: 1907463
• PubChem SID: 162094457; 24896784; 24884155; 24869408
• PubChem CID: 13068

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.4656205
• LogD (pH = 7.4): 4.4656205
• Log P: 4.4656205
• Molar Refractivity: 63.9996 cm^3
• Polarizability: 27.515612 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 77-79 °C(lit.); 78-79 °C; 78-81°C
• Boiling Point: 196-197 °C/12 mmHg(lit.); 196-197°C/12mm
• Density: 1.06; 1.066 g/mL at 25 °C(lit.)

Safety Information

• RTECS: CB0700000
• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 3077; UN3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3; III
• Risk Statements: 22-41-50/53; 50/53
• Safety Statements: 26-39-60-61; 60-61
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H318-H410; H400-H410
• GHS Precautionary statements: P273-P280-P305 + P351 + P338-P501; P273-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3077 9/PG 3

Product Information

• Purity: ≥98.0% (HPLC); 98%; 99%
• Grade: analytical standard, for environmental analysis; purum
• Empirical Formula (Hill Notation): C15H12

DETAILS

MP Biomedicals - 05207421

MP Biomedicals Rare Chemical collection

Sigma Aldrich - M29606

Packaging
1, 5, 10 g in glass bottle