ChemicalBook CAS DataBase List 125700-67-6

125700-67-6

Name	2-(1H-Benzotriazole-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate
CAS	125700-67-6
EINECS(EC#)	423-040-4
Molecular Formula	C11H17BF4N5O
MDL Number	MFCD00077413
Molecular Weight	322.09
MOL File	125700-67-6.mol

Synonyms

2-(1H-BENZOTRIAZOL-1-YL)-1,1,3,3-TETRAMETHYLURONIUM TETRAFLUOROBORATE 2-(1H-BENZOTRIAZOLE-1-YL)-1,1,3,3-TETRAMETHYLURONIUM TETRAFLUOROBORATE HBTU KNORR REAGENT N-[(1H-BENZOTRIAZOL-1-YL)(DIMETHYL-AMINO)METHYLENE]-N-METHYL-METHANAMINIUM TETRAFLUOROBORATE N,N,N',N'-TETRAMETHYL-O-(BENZOTRIAZOL-1-YL)URONIUM TETRAFLUOROBORATE O-(1H-BENZO-1,2,3-TRIAZOL-1-YL)-N,N,N',N'-TETRAMETHYL-URONIUM TETRAFLUOROBORATE O-(1H-BENZOTRIAZOL-1-YL)-1,1,3,3-TETRAMETHYL-URONIUM TETRAFLUOROBORATE O-(1H-BENZOTRIAZOL-1-YL)-N,N,N',N'-PENTAMETHYLENE-URONIUM TETRAFLUOROBORATE O-(1H-BENZOTRIAZOL-1-YL)-N,N,N',N'-TETRAMETHYLURONIUM TETRAFLUOROBORATE O-(1H-BENZOTRIAZOLE-1-YL) N,N,N',N'-TETRAMETHYL URONIUM TETRAFLUOROBORATE O-(BENZOTRIAZOL-1-YL)-1,1,3,3-TETRAMETHYLURONIUM TETRAFLUOROBORATE O-(BENZOTRIAZOL-1-YL)-N,N,N',N'-TETRAMETHYLURONIUM TETRAFLUOROBORATE TBPIPU TBTU TETRAFLUOROBORATE TBTU benzotriazol-1-yl-tetramethyluroniumtetrafluoroborate O-BENZOTRIAZOL-1-YL-N,N,N',N'-TETRA-& O-BENZOTRIAZOL-1-YL-N,N,N',N'-TETRAMETHY LURONIUM TBTU,O-(BENZOTRIAZOL-1-YL)-N,N,N',N'-TETRAMETHYLURONIUM TETRAFLUOROBORATE

Chemical Properties

Appearance	WHITE TO PALE CREAM FINE CRYSTALLINE POWDER
Melting point	205 °C (dec.)(lit.)
storage temp.	2-8°C
solubility	acetonitrile: 0.1 g/mL, clear
form	Powder
color	White to Almost white
Water Solubility	Soluble in acetonitrile (100 mg/ml, clear, colorless), DMF (160.55 mg/ml, clear), and water (3 mg/ml at 20°C).
Sensitive	Moisture Sensitive
Detection Methods	HPLC
BRN	7066325
Major Application	peptide synthesis
InChI	InChI=1S/C11H16N5O.BF4/c1-13(2)11(14(3)4)15-9-7-5-6-8-10(9)16(17)12-15;2-1(3,4)5/h5-8H,1-4H3;/q+1;-1
InChIKey	NQGZJNPFMLJDKU-UHFFFAOYSA-M
SMILES	[B+3]([F-])([F-])([F-])[F-].C(=[N+]1/N=N(=O)C2=CC=CC=C/12)(\N(C)C)/N(C)C
LogP	-2.65 at 21℃
CAS DataBase Reference	125700-67-6(CAS DataBase Reference)
Storage Precautions	Store under nitrogen;Moisture sensitive
EPA Substance Registry System	1H-Benzotriazolium, 1-[bis(dimethylamino)methylene]-, 3-oxide, tetrafluoroborate(1-) (1:1) (125700-67-6)

Safety Data

Symbol(GHS)	GHS02,GHS07
Signal word	Danger
Hazard statements	H228-H315-H319-H335
Precautionary statements	P210-P240-P241-P261-P302+P352-P305+P351+P338
Hazard Codes	Xi,F
Risk Statements	R36/37/38:Irritating to eyes, respiratory system and skin . R5:Heating may cause an explosion. less more
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 . S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . less more
RIDADR	1325
WGK Germany	3
F	8-10-21
Hazard Note	Irritant/Flammable
HazardClass	4.1
PackingGroup	Ⅱ
HS Code	29339900
Storage Class	4.1A - Other explosive hazardous materials
Hazard Classifications	Flam. Sol. 1 Skin Sens. 1A

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