2-니트로-1H-이미다졸

2-Nitroimidazole

HCID 10701

기본 정보

CAS: 36877-68-6
표준 SMILES: O=[N+]([O-])c1ncc[nH]1
InChIKey: YZEUHQHUFTYLPH-UHFFFAOYSA-N
분자식: C3H3N3O2
평균 분자량: 113.08 g/mol
단동위원소 질량: 113.02252634

개요

2-nitroimidazole is an imidazole that is 1H-imidazole substituted at position 2 by a nitro group. It has a role as an antitubercular agent. It is a member of imidazoles and a C-nitro compound. It is functionally related to a 1H-imidazole.

이름 및 식별자

우선 이름: 2-Nitroimidazole
IUPAC: 2-nitro-1H-imidazole
현지명: 2-니트로-1H-이미다졸
영어명: 2-nitro-1H-imidazole
분자량: 0

이름 및 동의어

2-NitroimidazoleAzomycin527-73-12-NITRO-1H-IMIDAZOLEAmicin1H-Imidazole, 2-nitro-K8E96XL55DNSC-105831DTXSID7060178CHEBI:67135RefChem:88725DTXCID6041260

이름 더 보기

2-니트로-1H-이미다졸1-nitroimidazole1H-Imidazole, nitro-2-NITRO-1H-IMIDAZOLE,=96%

208-425-5nitroimidazoleImidazole, 2-nitro-MFCD00005185Ro 05-9129NSC105831NitroimidazolesEINECS 208-425-5

데이터베이스 식별자

CAS: 36877-68-6、527-73-1
PubChem CID: 10701
DTXSID: DTXSID7060178
ChEMBL: CHEMBL433637
ChEBI: CHEBI:67135
UNII: K8E96XL55D
EC Number: 208-425-5
Nikkaji: J3.641B

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 74.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 99.2

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Antibiotics

Ionization Efficiency · 6건

Positive

2.42

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (10.5%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 76 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.