O-(Benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate

HCID 2733207CAS 125700-67-6

基本情報

標準SMILES: CN(C)C(On1nnc2ccccc21)=[N+](C)C.F[B-](F)(F)F
InChIKey: JKEKMBGUVUKMQB-UHFFFAOYSA-N
分子式: C11H16BF4N5O
平均分子量: 321.08 g/mol
単同位体質量: 321.138403

名称と識別子

優先名称: O-(Benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate
IUPAC: [benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium tetrafluoroborate

名称と別名

125700-67-6O-(Benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborateDTXSID50925234RefChem:855142DTXCID201354064603-087-9TBTU2-(1H-Benzotriazole-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate2-(1h-benzo[d][1,2,3]triazol-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborateMFCD00077413C11H16BF4N5O2-(1h-benzotriazol-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate

名称をさらに表示

N,N,N',N'-Tetramethyl-O-(benzotriazol-1-yl)uronium tetrafluoroborateo-(benzotriazol-1-yl)-n,n,n',n'-tetra methyluronium tetrafluoroborateo-(1h-benzotriazol-1-yl)-n,n,n',n'-tetramethyluronium tetrafluoroborate[benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium;tetrafluoroborate1H-Benzotriazolium, 1-[bis(dimethylamino)methylene]-, 3-oxide, tetrafluoroborate(1-) (1:1)TBTU Reagento-benzotriazol-1-yl-n,n,n',n'-tetramethyluronium tetrafluoroborateRX5S2LD7C4

データベース識別子

CAS: 125700-67-6
PubChem CID: 2733207
DTXSID: DTXSID50925234
UNII: RX5S2LD7C4
EC Number: 423-040-4、603-087-9

物性

構造計算による物性

極性表面積: 46.2 Å²
水素結合供与体数: 0
水素結合受容体数: 8
回転可能結合数: 3
重原子数: 22
形式電荷: 0
複雑度: 306

実験および物理化学的性質

Physical DescriptionWhite crystals; [Sigma-Aldrich]

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H228 (31.1%): Flammable solid [Danger Flammable solids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (65.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P240, P241, P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 177 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 2 件

Status: No longer Valid Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/4773；Status: Active Update: 29-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/24480；Status: Cease Manufacture Update: 11-12-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/8263

Status: Active Update: 06-07-2009 https://echa.europa.eu/registration-dossier/-/registered-dossier/1092

Hazards Summary · 1 件

Occupational asthma confirmed in a laboratory technician exposed to peptide coupling reagents (TBTU and HBTU); [Malo] No information on reproductive or lactation effects; [REPROTOX] Moderate skin, eye, and respiratory irritant; [Sigma-Aldrich]

Hazard Classes and Categories · 2 件

Flam. Sol. 1 (87.5%)；Acute Tox. 4 (37.5%)；Skin Irrit. 2 (50%)；Skin Sens. 1 (18.8%)；Eye Irrit. 2 (50%)；STOT SE 3 (50%)

Flam. Sol. 1 (31.1%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (65.5%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)