9-chloroanthracene

• ChemBase ID: 109093
• Molecular Formular: C14H9Cl
• Molecular Mass: 212.67426
• Monoisotopic Mass: 212.03927797
• SMILES: Clc1c2ccccc2cc2c1cccc2
• Canonical SMILES: Clc1c2ccccc2cc2c1cccc2
• InChI: InChI=1S/C14H9Cl/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H
• InChIKey: KULLJOPUZUWTMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-chloroanthracene
• IUPAC Traditional name: 9-chloroanthracene
• Synonyms: 9-CHLOROANTHRACENE; 9-Chloroanthracene; 9-氯蒽

Database IDs

• CAS Number: 716-53-0
• EC Number: 211-937-1
• MDL Number: MFCD00001245
• Beilstein Number: 1869540
• PubChem SID: 162096134; 24855214
• PubChem CID: 69744

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: 27.42866 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 101-106°C; 103-105 °C(lit.)

Safety Information

• RTECS: CA9561000
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22; 36/37/38-68
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H302; H341-H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 96%
• Empirical Formula (Hill Notation): C14H9Cl

DETAILS

MP Biomedicals - 05209832

MP Biomedicals Rare Chemical collection