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330645-87-9

330645-87-9 Structure

330645-87-9 Structure
IdentificationMore
[Name]

5-Chloro-1-[bis(dimethylamino)methylene]-1H-benzotriazolium 3-oxide hexafluorophosphate
[CAS]

330645-87-9
[Synonyms]

1-[BIS(DIMETHYLAMINO)METHYLEN]-5-CHLOROBENZOTRIAZOLIUM 3-OXIDE HEXAFLUOROPHOSPHATE
1-[BIS(DIMETHYLAMINO)METHYLENE]-5-CHLORO-1H-BENZOTRIAZOLIUM 3-OXIDE HEXAFLUOROPHOSPHATE
1-[BIS-(DIMETHYLAMINO)-METHYLENE]-5-CHLORO-1H-BENZOTRIAZOLIUM HEXAFLUOROPHOSPHATE 3-OXIDE
1-(BIS-DIMETHYLAMINO-METHYLENE)-5-CHLORO-3-OXY-1H-BENZOTRIAZOL-1-IUM HEXAFLUOROPHOSPHATE
1H-BENZOTRIAZOLIUM 1-[BIS(DIMETHYLAMINO)METHYLENE]-5CHLORO-,HEXAFLUOROPHOSPHATE (1-),3-OXIDE
2-(1H-6-CHLOROBENZOTRIAZOLE-1-YL)-1,1,3,3-TETRAMETHYL-URONIUM HEXAFLUOROPHOSPHATE
2-(6-CHLORO-1-H-BENZOTRIAZOLE-1-YL)-1,1,3,3-TETRAMETHYLAMINIUM HEXAFLUOROPHOSPHATE
5-Chloro-1-[bis(dimethylamino)methylene]-1H-benzotriazolium 3-oxide hexafluorophosphate
HCTU
N,N,N',N'-TETRAMETHYL-O-(6-CHLORO-1H-BENZOTRIAZOL-1-YL)URONIUM HEXAFLUOROPHOSPHATE
O-(1H-6-CHLOROBENZOTRIAZOL-1-YL)-1,1,3,3-TETRAMETHYLURONIUM HEXAFLUOROPHOSPHATE
O-(1H-6-CHLOROBENZOTRIAZOL-1-YL)-N,N,N',N'-TETRAMETHYLURONIUM HEXAFLUOROPHOSPHATE
O-(1H-6-CHLOROBENZOTRIAZOLE-1-YL)-1,1,3,3-TETRAMETHYLURONIUM HEXAFLUORPHOSPHATE
O-(6-CHLORO-1-HYDROCIBENZOTRIAZOL-1-YL)-1,1,3,3-TETRAMETHYLURONIUM HEXAFLUOROPHOSPHATE
O-(6-CHLOROBENZOTRIAZOL-1-YL)-N,N,N',N'-TETRAMETHYLURONIUM HEXAFLUOROPHOSPHATE
HCTU1H-BENZOTRIAZOLIUM 1-[BIS(DIMETHYLAMINO)METHYLENE]-5CHLORO-,HEXAFLUOROPHOSPHATE (1-),3-OXIDE
2-(6-Chloro-1H-benzotriazole-1-yl)-1,1,3,3-tetrame
o-(6-Chloro-1-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate
HCTU O-(6-CHLORO-1-HYDROCIBENZOTRIAZOL-1-YL)--1,1,3,3-TETRAMETHYLURONIUMHEXAFLUOROPHOSPHATE
2-(1H-6-CHLOROBENZOTRIAZOL-1-YL)-N,N,N'',N''-TETRAMETHYLURONIUMHEXAFLUOROPHOSPHATE
[EINECS(EC#)]

608-825-3
[Molecular Formula]

C11H15ClF6N5OP
[MDL Number]

MFCD04973268
[Molecular Weight]

413.69
[MOL File]

330645-87-9.mol
Chemical PropertiesBack Directory
[Melting point ]

185-190 °C
[storage temp. ]

Store at 0-5°C
[solubility ]

soluble in Dimethylformamide
[form ]

powder to crystal
[color ]

White to Almost white
[Detection Methods]

HPLC,NMR
[Major Application]

peptide synthesis
[InChI]

InChI=1S/C11H15ClN5O.F6P/c1-14(2)11(15(3)4)16-9-6-5-8(12)7-10(9)17(18)13-16;1-7(2,3,4,5)6/h5-7H,1-4H3;/q+1;-1
[InChIKey]

ZHHGTMQHUWDEJF-UHFFFAOYSA-N
[SMILES]

[P+5]([F-])([F-])([F-])([F-])([F-])[F-].C(=[N+]1/N=N(=O)C2=CC(Cl)=CC=C/12)(\N(C)C)/N(C)C
[CAS DataBase Reference]

330645-87-9(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H317
[Precautionary statements ]

P261-P272-P280-P302+P352-P333+P313-P362+P364
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
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 .
[WGK Germany ]

3
[F ]

10
[HS Code ]

29339900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Skin Sens. 1A
Hazard InformationBack Directory
[Chemical Properties]

White powder
[Uses]

Reagent for:
Synthesis of near-infrared pH activatable fluorescent probes
Synthesis of human β-amyloid by Fmoc chemistry
Stereoselective Horner-Wadsworth-Emmons olefination
Covalent ligation of fluorescent peptides to quantum dots
Alkylation of human telomere sequence
[General Description]

HCTU [1] is a novel aminium-based coupling reagent, analogous to HBTU, which in comparative studies was found to give superiort results to TBTU in the synthesis of difficult peptides [2], in hindered couplings [3], and cyclizations [4].

The product number for this product was previously 01-62-0038.

To obtain a certificate of analysis (CoA) of a lot that begins with the letter “A”, please select the option in the right hand menu “Request a COA for Lot#s starting with A”.
[reaction suitability]

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

5-Chloro-1-[bis(dimethylamino)methylene]-1H-benzotriazolium 3-oxide hexafluorophosphate(330645-87-9)1HNMR
5-Chloro-1-[bis(dimethylamino)methylene]-1H-benzotriazolium 3-oxide hexafluorophosphate(330645-87-9)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

O-(6-Chloro-1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate, 98+%(330645-87-9)
[Sigma Aldrich]

330645-87-9(sigmaaldrich)
[TCI AMERICA]

O-(6-Chlorobenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium Hexafluorophosphate,>98.0%(LC)(N)(330645-87-9)
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