CAS 1226869-60-8 tert-butyl 2-(2-formyl-1H-imidazol-1-yl)acetate (HCID 58291458)

基本情報

CAS: 1226869-60-8
標準SMILES: CC(C)(C)OC(=O)Cn1ccnc1C=O
InChIKey: AAHVZBAVFDHQMM-UHFFFAOYSA-N
分子式: C10H14N2O3
平均分子量: 210.23 g/mol
単同位体質量: 210.10044231

名称と識別子

優先名称: tert-butyl 2-(2-formyl-1H-imidazol-1-yl)acetate
IUPAC: tert-butyl 2-(2-formylimidazol-1-yl)acetate

名称と別名

tert-butyl 2-(2-formyl-1H-imidazol-1-yl)acetate1226869-60-8RefChem:892300969-483-1SCHEMBL2498914AAHVZBAVFDHQMM-UHFFFAOYSA-NSY367792EN300-9709027Z1725938151

データベース識別子

CAS: 1226869-60-8
PubChem CID: 58291458
EC Number: 969-483-1

物性

構造計算による物性

XLogP: 0.8
極性表面積: 61.2 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 5
重原子数: 15
形式電荷: 0
複雑度: 248

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.