2-Bromo-4-nitrophenol

HCID 22109CAS 5847-59-6

기본 정보

표준 SMILES: O=[N+]([O-])c1ccc(O)c(Br)c1
InChIKey: DCIPFSYBGTWYCR-UHFFFAOYSA-N
분자식: C6H4BrNO3
평균 분자량: 218 g/mol
단동위원소 질량: 216.93746

이름 및 식별자

우선 이름: 2-Bromo-4-nitrophenol
IUPAC: 2-bromo-4-nitrophenol
영어명: 2-Bromo-4-nitrophenol
분자식: C6H4BrNO3
분자량: 218

이름 및 동의어

2-BROMO-4-NITROPHENOL5847-59-6Phenol, 2-bromo-4-nitro-NSC-212120WTK249GKL9DTXSID10207164RefChem:1062463DTXCID10129655611-662-0MFCD06656567NSC 2121203-bromo-4-hydroxynitrobenzene

이름 더 보기

2-Bromo-4-nitrophenoPhenol,2-broMo-4-nitro-2-Bromo-4-nitrophenol >3-Bromo-4-hydroxynitrobenzene2-Bromo-4-nitrophenol >=98.0%

4-HYDROXY-3-BROMONITROBENZENENSC2121202-brom-4-nitro-phenolPhenol, 2-bromo-4-nitro- (8CI)(9CI)SCHEMBL144190SCHEMBL4902091DCIPFSYBGTWYCR-UHFFFAOYSA-NCK1185

데이터베이스 식별자

CAS: 5847-59-6
PubChem CID: 22109
DTXSID: DTXSID10207164
UNII: WTK249GKL9
EC Number: 611-662-0
Nikkaji: J441.023H

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 66.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 158

물리화학적 성질

녹는점: 111 · 111-115 °C
끓는 점: 298.1 · 298.1±25.0 °C(Predicted)
밀도: 1.8994 · 1.8994 (rough estimate)
굴절률: 1.62 · 1.6200 (estimate)
저장 조건: Inert atmosphere,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 5.36 · 5.36±0.22(Predicted)
색상: 흰색에서 노란색으로
수용성: 22 g/L · 22g/L(100℃)
BRN: 2441518 · 2441518
InChI: 1S/C6H4BrNO3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9H
InChIKey: DCIPFSYBGTWYCR-UHFFFAOYSA-N
SMILES: Oc1ccc(cc1Br)[N+]([O-])=O

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H400 (95.2%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.