Benzoic acid, 4-nitro-, hydrazide

HCID 3693744CAS 636-97-5

基本情報

標準SMILES: NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIKey: FKZXYJYTUSGIQE-UHFFFAOYSA-N
分子式: C7H7N3O3
平均分子量: 181.15 g/mol
単同位体質量: 181.04874108

概要

4-nitrobenzohydrazide is a C-nitro compound in which the nitro group is substituted into the 4-position of benzohydrazide. It is functionally related to a benzohydrazide.

名称と識別子

優先名称: Benzoic acid, 4-nitro-, hydrazide
IUPAC: 4-nitrobenzohydrazide

名称と別名

4-Nitrobenzohydrazide4-Nitrobenzhydrazide636-97-5p-Nitrobenzhydrazide4-Nitrobenzoylhydrazine4-Nitrobenzoic acid hydrazidep-Nitrobenzoic acid hydrazidep-Nitrobenzohydrazide(p-Nitrobenzoyl)hydrazinep-Nitrobenzoylhydrazidep-Nitrobenzoic hydrazide(4-Nitrobenzoyl)hydrazide

名称をさらに表示

(4-Nitrobenzoyl)hydrazineBenzoic acid, 4-nitro-, hydrazideNSC 9804AZ8HT8UU5SBENZOIC ACID, p-NITRO-, HYDRAZIDEEINECS 211-271-1BRN 0519882AI3-08928

データベース識別子

CAS: 636-97-5
PubChem CID: 3693744
DTXSID: DTXSID2060913
ChEMBL: CHEMBL122072
ChEBI: CHEBI:66928
UNII: AZ8HT8UU5S
EC Number: 211-271-1
Nikkaji: J42.039E

物性

構造計算による物性

XLogP: 0.3
極性表面積: 101 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 13
形式電荷: 0
複雑度: 206

実験および物理化学的性質

LogP0.35

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)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.