1-chloro-4-[chloro(phenyl)methyl]benzene

• ChemBase ID: 88512
• Molecular Formular: C13H10Cl2
• Molecular Mass: 237.1245
• Monoisotopic Mass: 236.01595568
• SMILES: ClC(c1ccccc1)c1ccc(cc1)Cl
• Canonical SMILES: Clc1ccc(cc1)C(c1ccccc1)Cl
• InChI: InChI=1S/C13H10Cl2/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13H
• InChIKey: ALKWTKGPKKAZMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-4-[chloro(phenyl)methyl]benzene
• IUPAC Traditional name: 1-chloro-4-[chloro(phenyl)methyl]benzene
• Synonyms: 4-Chlorobenzhydryl chloride; Chloro(4-chlorophenyl)phenylmethane; 1-Chloro-4-(chloro(phenyl)methyl)benzene; Chloro(4-chlorophenyl)phenylmethane; alpha,4-Dichlorodiphenylmethane; 4-Chlorobenzhydryl chloride; 1-Chloro-4-[chloro(phenyl)methyl]benzene; 4-Chlorobenzhydryl chloride; P-CHLOROBENZHYDRYL CHLORIDE; 4-氯二苯甲基氯; 4-氯二苯氯甲烷; 对氯二苯甲基氯

Database IDs

• CAS Number: 134-83-8
• EC Number: 205-158-6
• MDL Number: MFCD00000856
• Beilstein Number: 2050236
• PubChem SID: 24846605; 162075458
• PubChem CID: 241584

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.948773
• LogD (pH = 7.4): 4.948773
• Log P: 4.948773
• Molar Refractivity: 65.0125 cm^3
• Polarizability: 25.433157 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 159-160 °C/2 mmHg(lit.); 159-160°C/2mm; 159-160°C/2mm
• Flash Point: 113 °C; 194°C; 194°C(381°F); 235.4 °F
• Density: 1.239; 1.239 g/mL at 25 °C(lit.)
• Refractive Index: 1.6030; n20/D 1.603(lit.)

Safety Information

• Storage Warning: Corrosive/Lachrymatory/Moisture Sensitive/Store under Argon; Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Nature polluting (N)
• UN Number: 3265; UN3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 34-36/37; 34-43-50/53
• Safety Statements: 24-26-36/37/39-45-60-61; 26-27-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H314-H318-H400-H410-H317; H314-H335
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; 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

Product Information

• Purity: 97%; 98%
• Linear Formula: ClC6H4CH(C6H5)Cl

DETAILS

MP Biomedicals - 05207679

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 103314

Packaging
25 g in glass bottle