1-(chloromethyl)-4-[4-(chloromethyl)phenyl]benzene

• ChemBase ID: 138472
• Molecular Formular: C14H12Cl2
• Molecular Mass: 251.15108
• Monoisotopic Mass: 250.03160574
• SMILES: c1cc(ccc1CCl)c1ccc(cc1)CCl
• Canonical SMILES: ClCc1ccc(cc1)c1ccc(cc1)CCl
• InChI: InChI=1S/C14H12Cl2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-8H,9-10H2
• InChIKey: INZDTEICWPZYJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(chloromethyl)-4-[4-(chloromethyl)phenyl]benzene
• IUPAC Traditional name: 1-(chloromethyl)-4-[4-(chloromethyl)phenyl]benzene
• Synonyms: 4,4'-Bis(chloromethyl)-1,1'-biphenyl; 4,4′-Bis(chloromethyl)-1,1′-biphenyl; 联苯二氯苄

Database IDs

• CAS Number: 1667-10-3
• EC Number: 216-784-4
• MDL Number: MFCD00674019
• PubChem SID: 24868429; 162232727
• PubChem CID: 74275

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.7949553
• LogD (pH = 7.4): 4.7949553
• Log P: 4.7949553
• Molar Refractivity: 70.928 cm^3
• Polarizability: 28.600092 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 126 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-27-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3261 8/PG 2

Product Information

• Purity: 95%; 95+%; 97%
• Linear Formula: ClCH2C6H4C6H4CH2Cl

DETAILS

Sigma Aldrich - 448753

Packaging
250 g in glass bottle