CAS 174671-44-4 5-Phenoxy-1,3-dihydro-2,1-benzoxaborol-1-ol (HCID 22346826)

基本情報

CAS: 174671-44-4
標準SMILES: OB1OCc2cc(Oc3ccccc3)ccc21
InChIKey: FQDFSPUTOJOLJG-UHFFFAOYSA-N
分子式: C13H11BO3
平均分子量: 226.04 g/mol
単同位体質量: 226.0801244

名称と識別子

優先名称: 5-Phenoxy-1,3-dihydro-2,1-benzoxaborol-1-ol
IUPAC: 1-hydroxy-5-phenoxy-3H-2,1-benzoxaborole

名称と別名

5-phenoxy-1,3-dihydro-2,1-benzoxaborol-1-ol174671-44-4RefChem:537630887-326-45-phenoxybenzo[c][1,2]oxaborol-1(3H)-olSCHEMBL595809CHEMBL485360SCHEMBL5533473SCHEMBL30571023TQP1555FQDFSPUTOJOLJG-UHFFFAOYSA-NEBC-06598

名称をさらに表示

DB-097710EN300-7459651

データベース識別子

CAS: 174671-44-4
PubChem CID: 22346826
ChEMBL: CHEMBL485360
EC Number: 887-326-4

物性

構造計算による物性

極性表面積: 38.7 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 17
形式電荷: 0
複雑度: 255

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

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

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.