9,10-dichloroanthracene

• ChemBase ID: 111998
• Molecular Formular: C14H8Cl2
• Molecular Mass: 247.11932
• Monoisotopic Mass: 246.00030562
• SMILES: Clc1c2ccccc2c(Cl)c2c1cccc2
• Canonical SMILES: Clc1c2ccccc2c(c2c1cccc2)Cl
• InChI: InChI=1S/C14H8Cl2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H
• InChIKey: FKDIWXZNKAZCBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9,10-dichloroanthracene
• IUPAC Traditional name: 9,10-dichloroanthracene
• Synonyms: 9.10-DICHLOROANTHRACENE; 9,10-Dichloroanthracene; 9,10-二氯蒽

Database IDs

• CAS Number: 605-48-1
• EC Number: 210-087-9
• MDL Number: MFCD00001246
• Beilstein Number: 1912108
• PubChem SID: 162097436; 24855181
• PubChem CID: 11800

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.160289
• LogD (pH = 7.4): 5.160289
• Log P: 5.160289
• Molar Refractivity: 68.568 cm^3
• Polarizability: 29.181082 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 210-215°C; 213-215 °C(lit.)

Safety Information

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

Product Information

• Purity: 97%; 98%
• Empirical Formula (Hill Notation): C14H8Cl2

DETAILS

MP Biomedicals - 05222127

MP Biomedicals Rare Chemical collection