1,4-diethenylbenzene; 1-(chloromethyl)-4-(5-phenylpentyl)benzene; ethenylbenzene

• ChemBase ID: 137293
• Molecular Formular: C36H39Cl
• Molecular Mass: 507.14786
• Monoisotopic Mass: 506.27402893
• SMILES: C=Cc1ccccc1.C=Cc1ccc(cc1)C=C.c1ccc(cc1)CCCCCc1ccc(cc1)CCl
• Canonical SMILES: C=Cc1ccccc1.C=Cc1ccc(cc1)C=C.ClCc1ccc(cc1)CCCCCc1ccccc1
• InChI: InChI=1S/C18H21Cl.C10H10.C8H8/c19-15-18-13-11-17(12-14-18)10-6-2-5-9-16-7-3-1-4-8-16;1-3-9-5-7-10(4-2)8-6-9;1-2-8-6-4-3-5-7-8/h1,3-4,7-8,11-14H,2,5-6,9-10,15H2;3-8H,1-2H2;2-7H,1H2
• InChIKey: NNJPGMMQMYIATQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-diethenylbenzene; 1-(chloromethyl)-4-(5-phenylpentyl)benzene; ethenylbenzene
• IUPAC Traditional name: 1-(chloromethyl)-4-(5-phenylpentyl)benzene; divinylbenzene; styrene
• Synonyms: CMPP resin; [5-[4-(Chloromethyl)phenyl]pentyl]styrene, polymer-bound; CMPP 树脂; [5-[4-(氯甲基)苯基]戊基]苯乙烯，聚合物键合型

Database IDs

• MDL Number: MFCD02095641
• PubChem SID: 24873711; 162231557
• PubChem CID: 16213742

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.430557
• LogD (pH = 7.4): 6.430557
• Log P: 6.430557
• Molar Refractivity: 84.0661 cm^3
• Polarizability: 32.678345 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Particle Size: 100-200 mesh
• Extent of Labeling: 0.75-1.25 mmol/g Cl loading
• Crosslinking: 1 % cross-linked with divinylbenzene