1-chloro-2,4-dimethylbenzene

• ChemBase ID: 88908
• Molecular Formular: C8H9Cl
• Molecular Mass: 140.61006
• Monoisotopic Mass: 140.03927797
• SMILES: Clc1c(cc(cc1)C)C
• Canonical SMILES: Cc1ccc(c(c1)C)Cl
• InChI: InChI=1S/C8H9Cl/c1-6-3-4-8(9)7(2)5-6/h3-5H,1-2H3
• InChIKey: UIEVCEQLNUHDIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-2,4-dimethylbenzene
• IUPAC Traditional name: MXYLENE4chloro
• Synonyms: 1-Chloro-2,4-dimethylbenzene; 1-Chloro-2,4-dimethylbenzene; 4-Chloro-m-xylene; 4-氯间二甲苯

Database IDs

• CAS Number: 315-60-1; 95-66-9
• MDL Number: MFCD00060644
• PubChem SID: 162075805
• PubChem CID: 523153

CALCULATED PROPERTIES

• LogD (pH = 7.4): 3.6041334
• Log P: 3.6041334
• Molar Refractivity: 40.9452 cm^3
• Polarizability: 15.714514 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.6041334

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%