(Oxiran-2-yl)methyl 3-nitrobenzene-1-sulfonate

HCID 286836CAS 152333-94-3

基本情報

標準SMILES: O=[N+]([O-])c1cccc(S(=O)(=O)OCC2CO2)c1
InChIKey: AIHIHVZYAAMDPM-UHFFFAOYSA-N
分子式: C9H9NO6S
平均分子量: 259.24 g/mol

名称と識別子

優先名称: (Oxiran-2-yl)methyl 3-nitrobenzene-1-sulfonate
IUPAC: oxiran-2-ylmethyl 3-nitrobenzenesulfonate

名称と別名

152333-94-3(oxiran-2-yl)methyl 3-nitrobenzene-1-sulfonateRefChem:406780870-592-0oxiran-2-ylmethyl 3-nitrobenzenesulfonate(R)-(-)-Glycidyl nosylate(S)-(+)-Glycidyl nosylate(oxiran-2-yl)methyl3-nitrobenzene-1-sulfonate3-Nitro-benzenesulfonic Acid Oxiranylmethyl EsterMFCD041087473-Nitrobenzenesulfonic Acid (R)-Glycidyl EsterSCHEMBL336603

名称をさらに表示

glycidyl-3-nitrobenzenesulfonateCHEMBL5977560SCHEMBL30301224BDBM579880US11485731, Example 1AfNSC146004AKOS025243513NSC-146004

データベース識別子

CAS: 152333-94-3
PubChem CID: 286836
ChEMBL: CHEMBL5977560
EC Number: 870-592-0
Nikkaji: J345.765F

物性

構造計算による物性

XLogP: 0.7
極性表面積: 110 Å²
水素結合供与体数: 0
水素結合受容体数: 6
回転可能結合数: 4
重原子数: 17
形式電荷: 0
複雑度: 383

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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.