azidotris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)stannane

• ChemBase ID: 142322
• Molecular Formular: C24H12F39N3Sn
• Molecular Mass: 1202.0109048
• Monoisotopic Mass: 1202.94304198
• SMILES: C(C[Sn](CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)N=[N+]=[N-])C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(CC[Sn](N=[N+]=[N-])(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/3C8H4F13.N3.Sn/c3*1-2-3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21;1-3-2;/h3*1-2H2;;/q;;;-1;+1
• InChIKey: XBCIYHZQPNYTIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: azidotris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)stannane
• IUPAC Traditional name: azidotris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)stannane
• Synonyms: Azidotris(3,3,4,4,5,5,6,6,7,7,8,8,8- tridecafluorooctyl)stannane; Tris(1H,1H,2H,2H-perfluorooctyl)tin azide; Tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)tin azide; 三(1H,1H,2H,2H-全氟辛基)锡氮; 叠氮化三(3,3,4,4,5,5,6,6,7,7,8,8,8-十三氟辛基)锡烷; 三(3,3,4,4,5,5,6,6,7,7,8,8,8-氟辛基)锡氮

Database IDs

• CAS Number: 201740-73-0
• MDL Number: MFCD03788381
• PubChem SID: 24865566; 162236552
• PubChem CID: 10866136

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 17.1036
• LogD (pH = 7.4): 17.1036
• Log P: 17.1637
• Molar Refractivity: 127.8539 cm^3
• Polarizability: 53.302967 Å^3
• Polar Surface Area: 29.43 Å^2
• Rotatable Bonds: 25
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 6 °C
• Boiling Point: >280 °C
• Flash Point: >110 °C; >230 °F
• Density: 1.840 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/37/38-53
• Safety Statements: 61
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335-H413
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥90%
• Empirical Formula (Hill Notation): C24H12F39N3Sn

DETAILS

Sigma Aldrich - 40842

Packaging
1 g in poly bottle
Legal Information
Product of Fluorous Technologies, Inc. Protected by U.S. patents 6,156,896; 5,859,247; and 5,777,125