1,3-bis[2,6-bis(propan-2-yl)phenyl]-2-chloro-1,3,2-diazaphospholidine

• ChemBase ID: 141140
• Molecular Formular: C26H38ClN2P
• Molecular Mass: 445.020081
• Monoisotopic Mass: 444.24611354
• SMILES: CC(C)c1cccc(c1N1CCN(P1Cl)c1c(cccc1C(C)C)C(C)C)C(C)C
• Canonical SMILES: CC(c1cccc(c1N1CCN(P1Cl)c1c(cccc1C(C)C)C(C)C)C(C)C)C
• InChI: InChI=1S/C26H38ClN2P/c1-17(2)21-11-9-12-22(18(3)4)25(21)28-15-16-29(30(28)27)26-23(19(5)6)13-10-14-24(26)20(7)8/h9-14,17-20H,15-16H2,1-8H3
• InChIKey: GOXQIZBBMCFUBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-bis[2,6-bis(propan-2-yl)phenyl]-2-chloro-1,3,2-diazaphospholidine
• IUPAC Traditional name: 2-chloro-1,3-bis(2,6-diisopropylphenyl)-1,3,2-diazaphospholidine
• Synonyms: 2-Chloro-1,3-bis(2,6-diisopropylphenyl)-1,3,2-diazaphospholidine; 2-氯-1,3-双(2,6-二异丙基苯基)-1,3,2-二氮杂磷啶

Database IDs

• CAS Number: 314730-65-9
• MDL Number: MFCD10000905
• PubChem SID: 162235375
• PubChem CID: 12183212

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 9.43422
• LogD (pH = 7.4): 9.448317
• Log P: 9.4485
• Molar Refractivity: 156.3383 cm^3
• Polarizability: 51.495453 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 212-220 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Empirical Formula (Hill Notation): C26H38ClN2P

DETAILS

Sigma Aldrich - 694207

Packaging
1 g in glass bottle
250 mg in glass bottle