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

Synonym(s):N,N,N′,N′-Tetramethyl-O-(6-chloro-1H-benzotriazol-1-yl)uronium hexafluorophosphate;1-[Bis(dimethylamino)methylen]-5-chlorobenzotriazolium 3-oxide hexafluorophosphate;2-(6-Chloro-1-H-benzotriazole-1-yl)-1,1,3,3-tetramethylaminium hexafluorophosphate;HCTU

CAS NO.：330645-87-9
Empirical Formula: C11H15ClF6N5OP
Molecular Weight: 413.69
MDL number: MFCD04973268
EINECS: 608-825-3
SAFETY DATA SHEET (SDS)
Update Date: 2023-04-23 13:52:06

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

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

Chemical properties

White powder

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

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

What are the applications of Application

HCTU is a coupling reagent

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.

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

Melting point:	185-190 °C
storage temp.	Store at +2°C to +8°C.
solubility	soluble in Dimethylformamide
form	powder to crystal
color	White to Almost white
CAS DataBase Reference	330645-87-9(CAS DataBase Reference)

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

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07
GHS Hazard Statements	H317:Sensitisation, Skin
Precautionary Statement Codes	P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P272:Contaminated work clothing should not be allowed out of the workplace. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P333+P313:IF SKIN irritation or rash occurs: Get medical advice/attention.

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

InChIKey

ZHHGTMQHUWDEJF-UHFFFAOYSA-N

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product: 330645-87-9 O-(1H-6-Chlorobenzotriazole-1-yl)-1,1,3,3-tetramethyluronium hexafluorophosphate, HCTU 99%

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product: 330645-87-9 99%

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