[chloro(phenyl)methyl]benzene

• ChemBase ID: 146096
• Molecular Formular: C13H11Cl
• Molecular Mass: 202.67944
• Monoisotopic Mass: 202.05492803
• SMILES: c1ccc(cc1)C(c1ccccc1)Cl
• Canonical SMILES: ClC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C13H11Cl/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H
• InChIKey: ZDVDCDLBOLSVGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [chloro(phenyl)methyl]benzene
• IUPAC Traditional name: [chloro(phenyl)methyl]benzene
• Synonyms: Benzhydryl chloride; Diphenylchloromethane; Chlorodiphenylmethane; Chlorodiphenylmethane; Diphenylmethyl chloride; Benzhydryl chloride; (ChloroMethylene)dibenzene; 二苯氯甲烷; 氯化二苯甲基; 氯化二苯基甲烷; 二苯基氯甲烷

Database IDs

• CAS Number: 90-99-3
• EC Number: 202-031-7
• MDL Number: MFCD00000855
• Beilstein Number: 607925
• PubChem SID: 24847643; 162240295; 24854709
• PubChem CID: 7035

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.344728
• LogD (pH = 7.4): 4.344728
• Log P: 4.344728
• Molar Refractivity: 60.2077 cm^3
• Polarizability: 23.603855 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 15-17 °C(lit.); 17-20°C
• Boiling Point: 139-140°C/3mm; 140 °C/3 mmHg(lit.)
• Flash Point: 112 °C; 160°C(320°F); 233.6 °F
• Density: 1.14; 1.14 g/mL at 25 °C(lit.)
• Refractive Index: 1.5950; n20/D 1.595(lit.); n20/D 1.596

Safety Information

• European Hazard Symbols: Corrosive (C); Irritant (Xi)
• UN Number: 3265; UN3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 34; 36/38
• Safety Statements: 26-36; 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H314-H318; H315-H319
• GHS Precautionary statements: P280-P305+P351+P338-P309-P310; P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3265 8/PG 2

Product Information

• Purity: ≥97.0% (GC); 97%; 98%
• Grade: purum
• Linear Formula: (C6H5)2CHCl

DETAILS

Sigma Aldrich - 125032

Packaging
5, 100, 500 g in glass bottle