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136849-72-4

136849-72-4 Structure

136849-72-4 Structure
IdentificationMore
[Name]

TOTU
[CAS]

136849-72-4
[Synonyms]

O-(CYANO(ETHOXYCARBONYL)METHYLENAMINO)-1,1,3,3-TETRAMETHYLURONIUM TETRAFLUOROBORATE
O-[(ETHOXYCARBONYL)CYANOMETHYLENAMINO]-N,N,N',N'-TETRAMETHYLURONIUM TETRAFLUOROBORATE
O-[(ETHOXYCARBONYL)-CYANOMETHYLENEAMINO]-1,1,3,3-TETRAMETHYLURONIUM TETRAFLUOROBORATE
O-((Ethoxycarbonyl)cyanomethyleneamino)-N,N,N',N'-tetramethyluronium BF4
O-[(ETHOXYCARBONYL)CYANOMETHYLENEAMINO]-N,N,N',N'-TETRAMETHYLURONIUM TETRAFLUOROBORATE
O-[(ETHOXYCARBOXYL)CYANOMETHYLENEAMINO]-N,N,N',N'-TETRAMETHYLURONIUM TETRAFLUOROBORATE
TOTU
HOBT(MONOHYDROUS)
O-[(Ethoxycarbonyl)cyanomethylenamino]-N,N,N',N'-tetramethyluronium tetrafluorob
O-[(ETHOXYCARBONYL)CYANOMETHYLENAMINO]-N,N,N',N'-TETRAMETHYL
TOTU:O-[(ETHOXYCARBONYL)CYANOMETHYLENAMINO]-N,N,N',N'-TETRAMETHYLURONIUM TETRAFLUOROBORATE
O-[(Ethoxycarbonyl)cyanomethylenamino]-N,N,N',N'-t
O-[(ETHOXYCARBONYL)CYANOMETHYLENAMINO]-N,N,N',N'-TETRAMETHYLURONIUM TETRAFLUORIDE
O-Cyanoethoxycarbonylmethylideneamino-1,1,3,3-tetr
2-CYANOETHOXYCARBONYLMETHYLIDENEAMINO-1,1,3,3-TETRAMETHYLURONIUMTETRAFLUOROBORATE
O-[(ETHOXYCARBONYL) CYANOMETHYLENAMINO] N,N,N'',N''-TETRAMETHYLURONIUM TETRAFLUOROBORATE (TOTU)
O-((ETHOXYCARBONYL)CYANOMETHYLENEAMINO)-N,N,N'',N''-TETRAMETHYLURONIUM TETRAFLUOROBORATE(TOTU)
TOTT
TOTU (O-[(ETHOXYCARBONYL)-CYANOMETHYLENEAMINO]-1,1,3,3-TETRAMETHYLURONIUM TETRAFLUOROBORATE)
O-(Ethoxycarbonyl)cyanomethylenaminoü-N,N,N',N'-tetramethyluronium tetrafluoroborate, 97%
[EINECS(EC#)]

629-020-3
[Molecular Formula]

C10H17BF4N4O3
[MDL Number]

MFCD00192127
[Molecular Weight]

328.07
[MOL File]

136849-72-4.mol
Chemical PropertiesBack Directory
[Appearance]

white to yellowish crystalline powder
[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)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
[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
Hazard InformationBack Directory
[Chemical Properties]

white to yellowish crystalline powder
[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
[reaction suitability]

reaction type: Coupling Reactions
Spectrum DetailBack Directory
[Spectrum Detail]

TOTU(136849-72-4)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

O-((Ethoxycarbonyl)cyanomethyleneamino)-N,N,N',N'-tetramethyluronium BF4, 98%(136849-72-4)
[Alfa Aesar]

O-[(Ethoxycarbonyl)cyanomethylenamino]-N,N,N',N'-tetramethyluronium tetrafluoroborate, 97%(136849-72-4)
[Sigma Aldrich]

136849-72-4(sigmaaldrich)
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