5-Nitro-2-furaldehyde oxime

HCID 22601CAS 555-15-7

部分構造検索類似構造を探す

基本情報

標準SMILES: O=[N+]([O-])c1ccc(C=NO)o1
InChIKey: PTBKFATYSVLSSD-UHFFFAOYSA-N
分子式: C5H4N2O4
平均分子量: 156.1 g/mol
単同位体質量: 156.01710661

概要

Nifuroxime is an aldoxime, a member of furans and a C-nitro compound.

名称と識別子

優先名称: 5-Nitro-2-furaldehyde oxime
IUPAC: N-[(5-nitrofuran-2-yl)methylidene]hydroxylamine

名称と別名

RefChem:472741209-082-45-Nitro-2-furaldehyde oximeN-[(5-nitrofuran-2-yl)methylidene]hydroxylamineMicofurNitrofuroxime5-Nitrofurfural oximeMycofur2-Furaldehyde, 5-nitro-, oxime, (Z)-2-Furancarboxaldehyde, 5-nitro-, oxime, (Z)-Micofur; Mycofur; NF 6; Nifuroxime; Nitrofuroxime5-Nitrofurfuraldehyde oxime

名称をさらに表示

Oprea1_628647SCHEMBL465512CHEMBL2362258DTXSID50904488CHEBI:134784PTBKFATYSVLSSD-UHFFFAOYSA-N5-Nitro-2-furaldehyde oxime, cisAAA55515

データベース識別子

CAS: 555-15-7
PubChem CID: 22601
DTXSID: DTXSID50904488
ChEMBL: CHEMBL2362258
ChEBI: CHEBI:134784
EC Number: 209-082-4

物性

構造計算による物性

XLogP: 0.3
極性表面積: 91.6 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 176

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Sens. 1 (20%)