[dichloro(phenyl)methyl]benzene

• ChemBase ID: 109185
• Molecular Formular: C13H10Cl2
• Molecular Mass: 237.1245
• Monoisotopic Mass: 236.01595568
• SMILES: ClC(Cl)(c1ccccc1)c1ccccc1
• Canonical SMILES: ClC(c1ccccc1)(c1ccccc1)Cl
• InChI: InChI=1S/C13H10Cl2/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
• InChIKey: OPTDDWCXQQYKGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [dichloro(phenyl)methyl]benzene
• IUPAC Traditional name: diphenyldichloromethane
• Synonyms: α, α-DICHLORODIPHENYLMETHANE; bis-chlorodiphenylmethane; bisphenyldichloromethane; diphenyl-dichloromethane; dichlorodiphenylmethane; α,α-dichlorodiphenylmethane; 1,1-dichloro-1,1-diphenylmethane; 1,1-dichlorodiphenylmethane; Diphenyldichloromethane; 1,1'-(Dichloromethylene)bis[benzene]; DPM; DPM (halocarbon); Diphenyldichloromethane; NSC 37425; α,α-Dichlorodiphenylmethane; Benzophenone dichloride; α,α-Dichlorodiphenylmethane; 二氯二苯甲酮; α,α-二氯二苯甲烷

Database IDs

• CAS Number: 2051-90-3
• EC Number: 218-134-5
• MDL Number: MFCD00000811
• Beilstein Number: 1910601
• PubChem SID: 162094910; 24894002; 24861942
• PubChem CID: 16327
• Chemspider ID: 15492
• Wikipedia Title: Diphenyldichloromethane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.1879683
• LogD (pH = 7.4): 5.1879683
• Log P: 5.1879683
• Molar Refractivity: 65.6992 cm^3
• Polarizability: 25.398457 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: clear light yellow liquid
• Melting Point: 146 - 150 °C
• Boiling Point: 193 °C at 32 torr; 305 °C(lit.)
• Flash Point: 110 °C; 230 °F
• Density: 1.235 g/cm^3; 1.235 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.605; n20/D 1.605(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 14-34-37
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H314-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3265 8/PG 2
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

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

DETAILS

MP Biomedicals - 05210137

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D61407

Packaging
5, 25, 100 g in glass bottle

Toronto Research Chemicals - D434260

α,α-Dichlorodiphenylmethane is a degradation product of of polychloroaromatic insecticides such as Dicofol (D436700) and DDT. α,α-Dichlorodiphenylmethane is also used as a catalyst for photodegradation of plastics.

REFERENCES

• Golovleva, L.A. et al.: Mikrobiologiya, 51, 973 (1982)
• Freedman, B.: J. Appl. Polym. Sci., 20, 911 (1982)