chlorobis(3,5-dimethylphenyl)phosphane

• ChemBase ID: 142697
• Molecular Formular: C16H18ClP
• Molecular Mass: 276.740881
• Monoisotopic Mass: 276.08346489
• SMILES: Cc1cc(cc(c1)P(c1cc(cc(c1)C)C)Cl)C
• Canonical SMILES: ClP(c1cc(C)cc(c1)C)c1cc(C)cc(c1)C
• InChI: InChI=1S/C16H18ClP/c1-11-5-12(2)8-15(7-11)18(17)16-9-13(3)6-14(4)10-16/h5-10H,1-4H3
• InChIKey: FCEBDAANWYNQMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorobis(3,5-dimethylphenyl)phosphane
• IUPAC Traditional name: chlorobis(3,5-dimethylphenyl)phosphane
• Synonyms: Bis(3,5-dimethylphenyl)phosphinous chloride; Chlorobis(3,5-dimethylphenyl)phosphine; Bis(3,5-dimethylphenyl)chlorophosphine; Bis(3,5-dimethylphenyl)chlorophosphine; Chlorodi(3,5-xylyl)phosphine; Chlorobis(3,5-dimethylphenyl)phosphine; 氯化双(3,5-二甲基苯基)膦; 氯二(3,5-二甲基苯基)膦

Database IDs

• CAS Number: 74289-57-9
• EC Number: 000-000-0
• MDL Number: MFCD01630841
• PubChem SID: 162236923
• PubChem CID: 4187520

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.0077
• LogD (pH = 7.4): 6.0077
• Log P: 6.0077
• Molar Refractivity: 82.4497 cm^3
• Polarizability: 31.518805 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: >110 °C; >230 °F
• Density: 1.102 g/mL at 25 °C
• Refractive Index: n20/D 1.606

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: 1760; UN3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3; II
• Risk Statements: 34
• Safety Statements: 26-36/37/39-43-45; 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: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1760 8/PG 3

Product Information

• Purity: tech. 90%
• Empirical Formula (Hill Notation): C16H18ClP

DETAILS

Sigma Aldrich - 695165

Packaging
100, 500 mg in glass bottle