CAS No.330641-16-2,O-(6-Chlorobenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	330641-16-2
Name:	O-(6-Chlorobenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate

Formula:	C₁₁H₁₅BClF₄N₅O
Molecular Weight:	355.53
Synonyms:	TCTU;1H-Benzotriazolium, 1-[bis(dimethylamino)methylene]-5-chloro-, tetrafluoroborate(1-), 3-oxide (9CI);[(6-Chlorobenzotriazol-1-yl)oxy-(dimethylamino)methylidene]-dimethylazanium tetrafluoroborate;
Melting Point:	201-205 ºC
Hazard Symbols:	Xi,F,Xn
Risk Codes:	20/21/22-36/37/38
Safety:	26-36
PSA:	46.19000
LogP:	2.00300

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Specification

The O-(6-Chlorobenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate, with the CAS registry number 330641-16-2, is also known as 1-[Bis(dimethylamino)methylen]-5-chlorobenzotriazolium 3-oxide tetrafluoroborate. This chemical's molecular formula is C₁₁H₁₅BClF₄N₅O and molecular weight is 355.53. What's more, its IUPAC name is called [(6-Chlorobenzotriazol-1-yl)oxy-(dimethylamino)methylidene]-dimethylazanium tetrafluoroborate.

Physical properties about O-(6-Chlorobenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate are: (1)#H bond acceptors: 6; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 46.19 Å².

When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health and may cause inflammation to the skin or other mucous membranes. It may catch fire in contact with air, only need brief contact with an ignition source and have a very low flash point or evolve highly flammable gases in contact with water. This chemical is harmful by inhalation, in contact with skin and if swallowed. In addition, it is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: [B-](F)(F)(F)F.CN(C)C(=[N+](C)C)On1c2cc(ccc2nn1)Cl
(2) InChI: InChI=1S/C11H15ClN5O.BF4/c1-15(2)11(16(3)4)18-17-10-7-8(12)5-6-9(10)13-14-17;2-1(3,4)5/h5-7H,1-4H3;/q+1;-1
(3) InChIKey: GBGVQFJZGHBZMC-UHFFFAOYSA-N