2,4-dichloro-1,3,5-trimethylbenzene

• ChemBase ID: 10691
• Molecular Formular: C9H10Cl2
• Molecular Mass: 189.0817
• Monoisotopic Mass: 188.01595568
• SMILES: c1(c(c(c(c(c1)C)Cl)C)Cl)C
• Canonical SMILES: Cc1cc(C)c(c(c1Cl)C)Cl
• InChI: InChI=1S/C9H10Cl2/c1-5-4-6(2)9(11)7(3)8(5)10/h4H,1-3H3
• InChIKey: SBVYVPBZIPOXFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-1,3,5-trimethylbenzene
• IUPAC Traditional name: 2,4-dichloro-1,3,5-trimethylbenzene
• Synonyms: 1,3-DICHLORO MESITYLENE; 2,4-Dichloromesitylene

Database IDs

• CAS Number: 57386-83-1
• MDL Number: MFCD00045180
• PubChem SID: 160973998
• PubChem CID: 3698440

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.721599
• LogD (pH = 7.4): 4.721599
• Log P: 4.721599
• Molar Refractivity: 50.7912 cm^3
• Polarizability: 19.347603 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%

DETAILS

MP Biomedicals - 05225175

MP Biomedicals Rare Chemical collection