4-플루오로-2-니트로페놀

4-Fluoro-2-nitrophenol

HCID 136236CAS 394-33-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=[N+]([O-])c1cc(F)ccc1O
InChIKey: ZHRLVDHMIJDWSS-UHFFFAOYSA-N
분자식: C6H4FNO3
평균 분자량: 157.1 g/mol
단동위원소 질량: 157.01752121

이름 및 식별자

우선 이름: 4-Fluoro-2-nitrophenol
IUPAC: 4-fluoro-2-nitrophenol
현지명: 4-플루오로-2-니트로페놀
영어명: 2-Nitro-4-fluorophenol
분자식: C6H4FNO3
분자량: 157.1

이름 및 동의어

4-Fluoro-2-nitrophenol394-33-2Phenol, 4-fluoro-2-nitro-DTXSID2075348NSC 10283Phenol, 4fluoro2nitroRefChem:98966DTXCID2039627628-200-9InChI=1/C6H4FNO3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9ZHRLVDHMIJDWSS-UHFFFAOYSA-N2-Nitro-4-fluorophenol

이름 더 보기

4-플루오로-2-나이트로페놀4-플루오로-2-니트로페놀4-Fluoro-2-nitrophenol>Phenol, 4-fluoro-2-nitro-4-Fluoro-2-nitrophenol99%4-Fluoro-2-nitrophenol 99%4-fluoro-2-nitrobenzophenol4-FLUORO-2-NITROPHENOL, 98+%5-Fluoro-2-hydroxynitrobenzene2-Nitro-4-fluorophenol ISO 9001：2015 REACH

4-Fluoro-2-nitro-phenolMFCD000425284-fluoronitrophenolNSC10283SCHEMBL2290934-Fluoro-2-nitrophenol, 99%SCHEMBL15017183NSC-10283

데이터베이스 식별자

CAS: 394-33-2
PubChem CID: 136236
DTXSID: DTXSID2075348
EC Number: 628-200-9
Nikkaji: J540.538F

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 66.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 158

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Nitrophenols

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physical DescriptionGold powder; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: 75 · 75-77 °C (lit.)
끓는 점: 234.1 · 234.1±20.0 °C(Predicted)
밀도: 1.4306 · 1.4306 (estimate)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 6.76 · 6.76±0.14(Predicted)
색상: Orange to Green to Amber
BRN: 1950412 · 1950412
InChI: InChI=1S/C6H4FNO3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H
InChIKey: ZHRLVDHMIJDWSS-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(F)C=C1[N+]([O-])=O
NIST: 4 · 4-Fluoro-2-nitrophenol(394-33-2)
EPA: 4 · 4-Fluoro-2-nitrophenol (394-33-2)

화학적 성질

yellow crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards SummaryA skin and strong eye irritant; Prolonged or repeated exposure may cause eye injury; Harmful by ingestion and skin absorption; [Sigma-Aldrich MSDS] See 2-Nitrophenol.

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
HS 번호: 29089000
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-36-37/39
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도4-Fluoro-2-nitrophenol may be used in the preparation of 5-fluoro-2-methoxyanilineand 5-fluoro-2-hydroxyaniline.

일반 설명4-Fluoro-2-nitrophenol is formed during iron(III) nitrate nonahydrate activated by tungstophosphoric acid cesium salt catalyzed nitration of 4-fluorophenol.