Benzoic acid, 4-nitro-, hydrazide

HCID 3693744CAS 636-97-5

기본 정보

표준 SMILES: NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIKey: FKZXYJYTUSGIQE-UHFFFAOYSA-N
분자식: C7H7N3O3
평균 분자량: 181.15 g/mol
단동위원소 질량: 181.04874108

개요

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.

이름 및 식별자

우선 이름: Benzoic acid, 4-nitro-, hydrazide
IUPAC: 4-nitrobenzohydrazide

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 101 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 206

실험 및 물리화학적 성질

LogP0.35

안전 및 규제

GHS 분류

GHS Classification · 4건

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.