1,4-dichloro-2,3,5,6-tetramethylbenzene

• ChemBase ID: 148710
• Molecular Formular: C10H12Cl2
• Molecular Mass: 203.10828
• Monoisotopic Mass: 202.03160574
• SMILES: Cc1c(c(c(c(c1Cl)C)C)Cl)C
• Canonical SMILES: Cc1c(Cl)c(C)c(c(c1C)Cl)C
• InChI: InChI=1S/C10H12Cl2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h1-4H3
• InChIKey: PTIQIITULDNGAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dichloro-2,3,5,6-tetramethylbenzene
• IUPAC Traditional name: 1,4-dichloro-2,3,5,6-tetramethylbenzene
• Synonyms: 1,4-Dichlorodurene; 1,4-Dichloro-2,3,5,6-tetramethylbenzene; 1,4-二氯杜烯; 1,4-二氯-2,3,5,6-四甲苯

Database IDs

• CAS Number: 1967-89-1
• MDL Number: MFCD00075230
• PubChem SID: 162242885
• PubChem CID: 239143

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.2350206
• LogD (pH = 7.4): 5.2350206
• Log P: 5.2350206
• Molar Refractivity: 55.8324 cm^3
• Polarizability: 21.110355 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: 99%
• Empirical Formula (Hill Notation): C10H12Cl2