4-Bromo-2-nitrophenol

HCID 24364CAS 7693-52-9
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=[N+]([O-])c1cc(Br)ccc1O
InChIKey
CUTFAPGINUFNQM-UHFFFAOYSA-N
분자식
C6H4BrNO3
평균 분자량
218 g/mol
단동위원소 질량
216.93745509

이름 및 식별자

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

이름 및 동의어

4-BROMO-2-NITROPHENOL2-Nitro-4-bromophenolPhenol, 4-bromo-2-nitro-EINECS 231-707-4NSC 402972BRN 1870312DTXSID202277174-06-00-01363 (Beilstein Handbook Reference)RefChem:98102DTXCID70150208231-707-4CUTFAPGINUFNQM-UHFFFAOYSA-N
이름 더 보기
nsc4029724-Bromo-2-nitrophel4-bromo-2-nitro-phenoPHENOL, 2-NITRO-5-BROMO-4-Bromo-2-nitrophenol,98%4-Bromo-2-nitrophenol >
InChI=1/C6H4BrNO3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,97693-52-9MFCD000825404-bromo-2-nitro-phenolSNK5JLK3FANSC-4029724-Bromo-1-hydroxy-2-nitrobenzene4-Bromo-nitrophenol

데이터베이스 식별자

CAS
7693-52-9
PubChem CID
24364
DTXSID
DTXSID20227717
UNII
SNK5JLK3FA
EC Number
231-707-4
Nikkaji
J326.521H

물성

구조 계산 물성

XLogP
2.5
극성 표면적
66.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
0
무거운 원자 수
11

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

물리화학적 성질

녹는점
90 · 90-94 °C (lit.)
끓는 점
259.4 · 259.4±20.0 °C(Predicted)
밀도
1.8994 · 1.8994 (rough estimate)
굴절률
1.609 · 1.6090 (estimate)
저장 조건
Sealed in dry,Room Temperature
산도 계수 (pKa)
6.28 · 6.28±0.14(Predicted)

화학적 성질

yellow crystalline powder or crystals

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302+H332 (85.1%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (89.4%)

안전 데이터

wgk
3
rtecs
SJ8370000
HS 번호
29089990
risk_code
20/21/22-36/37/38-20/22
hazard_code
Xn
safety_code
26-36-36/37/39

화학 및 산업

응용 분야 · 3건

개요4-bromo-2-nitrophenol is an essential intermediate for fine chemical engineering. It can be used to synthesize derivatives with biological activity, such as heterocyclic compounds as peptidase inhibitors for treating diabetes, introducing fluorine-containing groups as pesticides, and aminic compounds as Btk inhibitors for treating immune diseases.

용도4-Bromo-2-nitrophenol serves as a precursor for synthesizing ether derivatives. It reacts with 1,2-dibromoethane in the presence of NaOH to form 4-bromo-1-(2-bromoethoxy)-2-nitrobenzene, and couples with 1-(2-bromoethoxy)-2-nitrobenzene using K2CO3 in DMF to yield 4-bromo-2-nitro-1-[2-(2-nitrophenoxy)ethoxy]benzene[1-2].

일반 설명The Suzuki coupling of 4-bromo-2-nitrophenol with boronic acid was studied.

상·하류 제품 정보

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
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合肥翰刚医药科技有限公司+8618062405514 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

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