CAS 54769-22-1 Methanesulfonic acid, 1H-benzotriazol-1-yl ester (HCID 11745953)

基本情報

CAS: 54769-22-1
標準SMILES: CS(=O)(=O)On1nnc2ccccc21
InChIKey: RVFMZBYPSSUAAR-UHFFFAOYSA-N
分子式: C7H7N3O3S
平均分子量: 213.22 g/mol

名称と識別子

優先名称: Methanesulfonic acid, 1H-benzotriazol-1-yl ester
IUPAC: benzotriazol-1-yl methanesulfonate
英語名: 1H-Benzotriazole, 1-[(methylsulfonyl)oxy]-
分子式: C7H7N3O3S
分子量: 213.21

名称と別名

54769-22-1RefChem:811513Methanesulfonic acid, 1H-benzotriazol-1-yl ester886-062-71-[(Methylsulfonyl)oxy]-1H-benzotriazoleMFCD26393267benzotriazol-1-yl methanesulfonate1-methanesulfonyloxy-1,2,3-benzotriazole1-benzotriazolyl mesylate1H-1,2,3-benzotriazol-1-yl methanesulfonateSCHEMBL9584541-methanesulfonyloxy-benzotriazole

名称をさらに表示

1H-Benzotriazole, 1-[(methylsulfonyl)oxy]-

RVFMZBYPSSUAAR-UHFFFAOYSA-NAKOS0302287501-methane-sulfonyloxy-1,2,3-benzotriazoleDB-291174Methanesulfonic acid benzotriazol-1-yl esterA105521H-Benzo[d][1,2,3]triazol-1-ylmethanesulfonate1H-Benzo[d][1,2,3]triazol-1-yl methanesulfonate

データベース識別子

CAS: 54769-22-1
PubChem CID: 11745953
EC Number: 886-062-7
Nikkaji: J1.025.451E

物性

構造計算による物性

XLogP: 1.1
極性表面積: 82.5 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 2
重原子数: 14
形式電荷: 0
複雑度: 300

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.