tert-butyl(chloro)phenylphosphane

• ChemBase ID: 141257
• Molecular Formular: C10H14ClP
• Molecular Mass: 200.644921
• Monoisotopic Mass: 200.05216476
• SMILES: CC(C)(C)P(c1ccccc1)Cl
• Canonical SMILES: ClP(C(C)(C)C)c1ccccc1
• InChI: InChI=1S/C10H14ClP/c1-10(2,3)12(11)9-7-5-4-6-8-9/h4-8H,1-3H3
• InChIKey: XOQDDCZARYSQNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl(chloro)phenylphosphane
• IUPAC Traditional name: tert-butyl(chloro)phenylphosphane
• Synonyms: (1,1-Dimethylethyl)phenylphosphinous chloride; Chloro(phenyl)-tert-butylphosphine; tert-Butyl(phenyl)phosphinous chloride; tert-Butylchloro(phenyl)phosphine; tert-Butylphenylchlorophosphine; Chloro(tert-butyl)phenylphosphine; 氯(叔丁基)苯膦

Database IDs

• CAS Number: 29949-69-7
• MDL Number: MFCD00015735
• PubChem SID: 162235492
• PubChem CID: 185712

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.291
• LogD (pH = 7.4): 3.291
• Log P: 3.291
• Molar Refractivity: 56.3129 cm^3
• Polarizability: 22.225143 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 77-78 °C/0.4 mmHg
• Flash Point: 32 °C; 89.6 °F
• Density: 1.064 g/mL at 25 °C
• Refractive Index: n20/D 1.555

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2920
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 10-14-34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H314
• GHS Precautionary statements: 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 2920 8/PG 2
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Empirical Formula (Hill Notation): C10H14ClP

DETAILS

Sigma Aldrich - 698776

Packaging
1, 5 g in glass bottle