chlorobis(2-methylphenyl)phosphane

• ChemBase ID: 140520
• Molecular Formular: C14H14ClP
• Molecular Mass: 248.687721
• Monoisotopic Mass: 248.05216476
• SMILES: Cc1ccccc1P(c1ccccc1C)Cl
• Canonical SMILES: Cc1ccccc1P(c1ccccc1C)Cl
• InChI: InChI=1S/C14H14ClP/c1-11-7-3-5-9-13(11)16(15)14-10-6-4-8-12(14)2/h3-10H,1-2H3
• InChIKey: KAAGXBGJRWFWPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorobis(2-methylphenyl)phosphane
• IUPAC Traditional name: chlorobis(2-methylphenyl)phosphane
• Synonyms: Di(o-tolyl)chlorophosphine; Chlorobis(2-methylphenyl)phosphine; Chlorobis(o-tolyl)phosphine; Di(o-methylphenyl)phosphine chloride; Di-o-tolylchlorophosphine; Bis(2-methylphenyl)phosphinous chloride; Chlorodi(o-tolyl)phosphine; 二邻甲苯基氯化膦; 双(2-甲基苯基)氯化膦; 二(邻甲苯基)氯化膦

Database IDs

• CAS Number: 36042-94-1
• EC Number: 000-000-0
• MDL Number: MFCD04038733
• PubChem SID: 162234764; 24881670
• PubChem CID: 4590860

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.0733
• LogD (pH = 7.4): 5.0733
• Log P: 5.0733
• Molar Refractivity: 72.3673 cm^3
• Polarizability: 27.98759 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 57°C; 63-67 °C
• Boiling Point: 174-178°C/3mm
• Flash Point: >110 °C; >230 °F

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: 3261; UN1760
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45; 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; 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
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥95.0% (GC); 98%
• Empirical Formula (Hill Notation): C14H14ClP

DETAILS

Sigma Aldrich - 686697

Packaging
1, 5 g in glass bottle