2,2,2-trifluoroethan-1-amine hydrochloride

• ChemBase ID: 8214
• Molecular Formular: C2H5ClF3N
• Molecular Mass: 135.5160096
• Monoisotopic Mass: 135.00626151
• SMILES: FC(F)(F)CN.Cl
• Canonical SMILES: NCC(F)(F)F.Cl
• InChI: InChI=1S/C2H4F3N.ClH/c3-2(4,5)1-6;/h1,6H2;1H
• InChIKey: ZTUJDPKOHPKRMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,2-trifluoroethan-1-amine hydrochloride
• IUPAC Traditional name: 2,2,2-trifluoroethylamine hydrochloride
• Synonyms: 2,2,2-Trifluoroethanamine hydrochloride; 2-Amino-1,1,1-trifluoroethane hydrochloride; 2,2,2-Trifluoroethylamine hydrochloride 98%; 2,2,2-Trifluoroethylamine hydrochloride; 2,2,2-Trifluoroethylamine hydrochloride; 2-氨基-1,1,1-三氟乙烷 盐酸盐; 2,2,2-三氟乙胺 盐酸盐

Database IDs

• CAS Number: 373-88-6
• EC Number: 206-771-1
• MDL Number: MFCD00012875
• Beilstein Number: 3652103
• PubChem SID: 24850866; 24889538; 160971521
• PubChem CID: 9772

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.1359752
• LogD (pH = 7.4): 0.3265743
• Log P: 0.32963738
• Molar Refractivity: 15.3689 cm^3
• Polarizability: 5.685623 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 218°C subl.; 220-222 °C (subl.)(lit.); 220-222°C

Safety Information

• Storage Warning: Harmful/Hygroscopic; Hygroscopic; IRRITANT
• RTECS: KS0250000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22; 22-36/37/38
• Safety Statements: 26-36/37; 36/37
• TSCA Listed: true; 是
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H315-H319-H335; H302-H312-H332
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P280
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (NT); 98%
• Grade: purum
• Linear Formula: CF3CH2NH2 · HCl

DETAILS

Sigma Aldrich - 180386

Packaging
10, 50 g in glass bottle