(2,2-dichloro-1-methylcyclopropyl)benzene

• ChemBase ID: 136765
• Molecular Formular: C10H10Cl2
• Molecular Mass: 201.0924
• Monoisotopic Mass: 200.01595568
• SMILES: CC1(CC1(Cl)Cl)c1ccccc1
• Canonical SMILES: CC1(CC1(Cl)Cl)c1ccccc1
• InChI: InChI=1S/C10H10Cl2/c1-9(7-10(9,11)12)8-5-3-2-4-6-8/h2-6H,7H2,1H3
• InChIKey: NXYPRVQXSWVEOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,2-dichloro-1-methylcyclopropyl)benzene
• IUPAC Traditional name: (2,2-dichloro-1-methylcyclopropyl)benzene
• Synonyms: (2,2-Dichloro-1-methylcyclopropyl)benzene; 1,1-Dichloro-2-methyl-2-phenylcyclopropane; (2,2-二氯-1-甲基环丙基)苯

Database IDs

• CAS Number: 3591-42-2
• EC Number: 222-734-2
• MDL Number: MFCD00012260
• PubChem SID: 162231034
• PubChem CID: 107129

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.7928956
• LogD (pH = 7.4): 3.7928956
• Log P: 3.7928956
• Molar Refractivity: 53.0901 cm^3
• Polarizability: 20.53744 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 70-72°C/0.8mm
• Refractive Index: 1.5410

Safety Information

• TSCA Listed: 是

Product Information

• Purity: 95%; 97%
• Empirical Formula (Hill Notation): C10H10Cl2