TOTU , 98% , 136849-72-4

Synonym(s):
N-[[[(1-Cyano-2-ethoxy-2-oxoethylidene)amino]oxy](dimethylamino)methylene]-N-methyl-methanaminium tetrafluoroborate;O-[(Ethoxycarbonyl)cyanomethylenamino]-N,N,NÆ,NÆ-tetramethyluronium tetrafluoroborate;TOTU

CAS NO.：136849-72-4

Empirical Formula: C10H17BF4N4O3

Molecular Weight: 328.07

MDL number: MFCD00192127

EINECS: 629-020-3

PRODUCT Properties

• Melting point: 145 °C (dec.)(lit.)
• storage temp.: 2-8°C
• solubility: Soluble in water or 1% acetic acid
• form: Crystalline Powder
• color: White to yellow
• Sensitive: Moisture Sensitive
• Major Application: peptide synthesis
• InChI: InChI=1S/C10H17N4O3.BF4/c1-6-16-9(15)8(7-11)12-17-10(13(2)3)14(4)5;2-1(3,4)5/h6H2,1-5H3;/q+1;-1/b12-8-
• InChIKey: PZOBERLGEQHZDV-BPWZRWDXSA-M
• SMILES: C(=[N+](/C)\C)(\N(C)C)/O/N=C(/C#N)\C(=O)OCC.[B-](F)(F)(F)F
• CAS DataBase Reference: 136849-72-4(CAS DataBase Reference)

Description and Uses

Reactant for:
Watson-Crick pairing of oligonucleotides
Esterification of nucleosides to solid phase supports
Reagent for:
Synthesis of selective integrin avβ3 antagonists
Design and synthesis of double stranded DNA libraries
Preparation of conformationally contrained β-amino acid derivatives
Synthesis and application of methyleneoxy pseudopeptide building blocks

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302-H315-H319-H335
• Precautionary statements: P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
• target organs: Respiratory system
• PPE: dust mask type N95 (US), Eyeshields, Gloves
• Hazard Codes: Xi
• Risk Statements: 36/37/38
• Safety Statements: 26-36-37/39
• RIDADR: 1759
• WGK Germany: 3
• F: 8-10-21
• HazardClass: 8
• PackingGroup: III
• HS Code: 29280000
• Storage Class: 11 - Combustible Solids
• Hazard Classifications: Acute Tox. 4 Oral; Eye Dam. 1; Skin Sens. 1A; STOT SE 3
• Toxicity: LD50 orally in Rabbit: 500 - 650 mg/kg