2-chloroanthracene

• ChemBase ID: 150100
• Molecular Formular: C14H9Cl
• Molecular Mass: 212.67426
• Monoisotopic Mass: 212.03927797
• SMILES: c1ccc2cc3cc(ccc3cc2c1)Cl
• Canonical SMILES: Clc1ccc2c(c1)cc1c(c2)cccc1
• InChI: InChI=1S/C14H9Cl/c15-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H
• InChIKey: OWFINXQLBMJDJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloroanthracene
• IUPAC Traditional name: 2-chloroanthracene
• Synonyms: 2-Chloroanthracene; 2-chloroanthracene; 2-氯蒽

Database IDs

• CAS Number: 17135-78-3
• MDL Number: MFCD00003580
• PubChem SID: 162244262; 24851285
• PubChem CID: 28308

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.556244
• LogD (pH = 7.4): 4.556244
• Log P: 4.556244
• Molar Refractivity: 63.7632 cm^3
• Polarizability: 27.406385 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 221-223 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 95%; 98%
• Empirical Formula (Hill Notation): C14H9Cl

DETAILS

Sigma Aldrich - 187720

Packaging
1, 5 g in glass bottle