1,2,3,5-tetrachloro-4,6-dimethylbenzene

• ChemBase ID: 112085
• Molecular Formular: C8H6Cl4
• Molecular Mass: 243.94524
• Monoisotopic Mass: 241.92236091
• SMILES: Cc1c(Cl)c(Cl)c(Cl)c(C)c1Cl
• Canonical SMILES: Cc1c(Cl)c(C)c(c(c1Cl)Cl)Cl
• InChI: InChI=1S/C8H6Cl4/c1-3-5(9)4(2)7(11)8(12)6(3)10/h1-2H3
• InChIKey: NTUBJKOTTSFEEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,5-tetrachloro-4,6-dimethylbenzene
• IUPAC Traditional name: tetrachloro-m-xylene
• Synonyms: TETRACHLORO-m-XYLENE; 2,4,5,6-Tetrachloro-m-xylene; Tetrachlorometaxylene; 2,4,5,6-Tetrachlorometaxylene; 2,4,5,6-四氯-间二甲苯

Database IDs

• CAS Number: 877-09-8
• EC Number: 212-886-8
• MDL Number: MFCD00000544
• PubChem SID: 24867786; 162098131
• PubChem CID: 70139
• Chemspider ID: 63327
• Wikipedia Title: Tetrachloro-m-xylene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.4162674
• LogD (pH = 7.4): 5.4162674
• Log P: 5.4162674
• Molar Refractivity: 55.3596 cm^3
• Polarizability: 21.517744 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 220°C

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338

Product Information

• Grade: analytical standard
• Packaging: ampule of 1000 mg
• Empirical Formula (Hill Notation): C8H6Cl4

DETAILS

MP Biomedicals - 05222476

MP Biomedicals Rare Chemical collection