tris(nonafluorobutyl)amine

• ChemBase ID: 9809
• Molecular Formular: C12F27N
• Molecular Mass: 671.0919864
• Monoisotopic Mass: 670.95996095
• SMILES: C(N(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(F)(F)F)(F)F)(F)F)(N(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C12F27N/c13-1(14,7(25,26)27)4(19,20)10(34,35)40(11(36,37)5(21,22)2(15,16)8(28,29)30)12(38,39)6(23,24)3(17,18)9(31,32)33
• InChIKey: RVZRBWKZFJCCIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(nonafluorobutyl)amine
• IUPAC Traditional name: perfluorotributylamine
• Synonyms: Perfluorotri-n-butylamine; N,N-Bis(nonafluorobut-1-yl)-1,1,2,2,3,3,4,4,4-nonafluorobutan-1-amine; Tris(perfluorobut-1-yl)amine; Heptacosafluorotributylamine; Perfluorotributylamine; N,N-Bis(perfluorobut-1-yl)-1,1,2,2,3,3,4,4,4-nonafluorobutan-1-amine; Tris(perfluorobut-1-yl)amine, mass spectrometry grade; FC-43; Heptacosafluorotri-n-butylamine; Perfluorotributylamine, Mass Spec Std; Perfluorotri-n-butylamine; FluorinertR(FC-43); HEPTACOSAFLUOROTRIBUTYLAMINE; PERFLUOROTRIBUTYLAMINE; Fluorinert® FC-43; PFTBA; Tris(nonafluorobutyl)amine; Heptacosafluorotributylamine; 全氟三正丁胺,质谱级; 全氟三正丁胺; 1,1,2,2,3,3,4,4,4-九氟丁基-N,N-双(九氟基丁基)-1-丁胺; 全氟三丁胺; 二十七氟三丁胺

Database IDs

• CAS Number: 311-89-7
• EC Number: 206-223-1
• MDL Number: MFCD00000436
• Beilstein Number: 1813883
• PubChem SID: 24887182; 160973116; 24895681
• PubChem CID: 9397

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 9.803731
• LogD (pH = 7.4): 9.803731
• Log P: 9.803731
• Molar Refractivity: 66.0417 cm^3
• Polarizability: 25.50428 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: liquid
• Melting Point: -52°C; -52°C
• Boiling Point: 170-180°C; 177-180°C; 178 °C(lit.); 178°C; 178-180°C
• Flash Point: none°C
• Density: 1.88; 1.880; 1.883 g/mL at 25 °C(lit.); 1.9; 1.9 g/ml
• Refractive Index: 1.289; 1.2890; 1.290
• Vapor Pressure: 1.3 mmHg ( 25 °C)
• Vapor Density: 23.3 (vs air)

Safety Information

• Storage Condition: 2-8°C, Desiccate
• Storage Warning: Irritant/Keep Cold
• RTECS: YA1000000
• European Hazard Symbols: Corrosive (C); Irritant (Xi)
• UN Number: 2735
• German water hazard class: 2
• Hazard Class: 8
• Packing Group: II
• Australian Hazchem: 3X
• Risk Statements: 36/37/38; R:34
• Safety Statements: 26-36; 26-37; S:26-27/28-36/37/39-46-64
• EU Classification: C7
• EU Hazard Identification Number: 8B
• Emergency Response Guidebook(ERG) Number: 153
• TSCA Listed: true; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: 85%; tech. 90%
• Grade: analytical standard, for mass spectrometry
• Linear Formula: N(CF2CF2CF2CF3)3

DETAILS

MP Biomedicals - 02157304

1 ml = approx. 1.90 g

Apollo Scientific Ltd - PC3312C

(Fluorinert is a registered trademark of 3M)

Sigma Aldrich - H5262

Packaging
5, 25 mL in glass bottle
Legal Information
Fluorinert is a registered trademark of 3M Company

Sigma Aldrich - 77299

Legal Information
Fluorinert is a registered trademark of 3M Company

REFERENCES

• Standard for use in mass spectrometry.