4-Fluorophenol (HCID 9732)

개요

4-fluorophenol is a fluorophenol that is phenol in which the hydrogen para- to the hydroxy group has been replaced by a fluorine. It is a fluorophenol and a member of monofluorobenzenes.

이름 및 식별자

우선 이름: 4-Fluorophenol
IUPAC: 4-fluorophenol
현지명: 4-플루오로페놀
영어명: 4-Fluorophenol
분자식: C6H5FO
분자량: 112.1

이름 및 동의어

4-FLUOROPHENOL371-41-5p-FluorophenolPhenol, 4-fluoro-Phenol, p-fluoro-K6DT6TR5E5NSC-10295DTXSID0052047CHEBI:42533RefChem:99038DTXCID5030614206-736-0

이름 더 보기

4-플루오로페놀4-플루오로페놀(4-FLUOROPHENOL)FluorophenolFPO4-F-PhOHp-Fluorohenol4-Fluorphenolp-FluorphenolP-flrorophenol4-fluoro-pheno

MFCD000023164-Fluoro-phenolPARA-FLUOROPHENOLFPNCCRIS 665EINECS 206-736-0NSC 10295BRN 1362752

데이터베이스 식별자

CAS: 371-41-5
PubChem CID: 9732
DTXSID: DTXSID0052047
ChEMBL: CHEMBL56226
ChEBI: CHEBI:42533
UNII: K6DT6TR5E5
EC Number: 206-736-0
Nikkaji: J34.560A

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 66.9

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Phenols

PFASPFAS -> Suspected persistent, mobile, toxic (PMT) PFAS or PFAS-like compounds

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

LogP1.71

Vapor Pressure1.19 [mmHg]

Physical DescriptionWhite crystalline solid with an odor like phenol; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 43 · 43-46 °C (lit.)
끓는 점: 185 °C · 185 °C (lit.)
밀도: 1.22 · 1.22
인화점: 155 °F · 155 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 80 g/L · 80g/L
물리적 상태: 결정질 고체
산도 계수 (pKa): 9.89 · 9.89(at 25℃)
색상: 옐로우베이지부터 핑크까지
수소이온지수(pH): 5.4 · 5.4 (H2O, 20℃)(saturated aqueous solution)
수용성: 50 g/L · 50g/L
BRN: 1362752 · 1362752
Henry's Law Constant: 1.4 · 1.4×101 mol/(m3Pa) at 25℃, Abraham et al. (1994)
안정성: 안정적인. 가연성. 강한 산화제와 호환되지 않습니다.
InChI: 1S/C6H5FO/c7-5-1-3-6(8)4-2-5/h1-4,8H
InChIKey: RHMPLDJJXGPMEX-UHFFFAOYSA-N
SMILES: Oc1ccc(F)cc1
NIST: 4 · Phenol, 4-fluoro-(371-41-5)
EPA: 4 · Phenol, 4-fluoro- (371-41-5)

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (98.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 112 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Phenol, 4-fluoro-

Status: Active Update: 23-09-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/12102

4-Fluorophenol: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryIntraperitoneal LD50 (mouse) = 312 mg/kg; [RTECS] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion and skin absorption; [Alfa Aesar MSDS] See Phenol. See p-Iodoophenol.

Hazard Classes and CategoriesAcute Tox. 4 (98.2%)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk: 1
tsca: TSCA listed
rtecs: SL4550000
ridadr: UN 2928 6.1/PG 2
HS 번호: 29081000
risk_code: 20/21/22-36/37/38-52/53
hazard_code: Xn,C,T,F+
safety_code: 26-37/39-61-36
포장분류: III
위험 등급: 6.1
기존화학 물질: KE-17038
F 고인화성물질: 10-23
위험 참고 사항: Corrosive/Harmful
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2Skin Irrit. 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

Metabolism/Metabolites4-Fluorophenol has known human metabolites that include (2S,3S,4S,5R)-6-(4-fluorophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid.

용도 및 제조

General Manufacturing InformationPhenol, 4-fluoro-: ACTIVE

응용 분야 · 1건

용도4-Fluorophenol is a fluorinated phenolic compound with various applications as a starting reagent for synthesizing pharmaceuticals. It is a widely used intermediate in the industrial production of several drugs, including cisapride and Sabeluzole by Janssen, Sorbinil by Pfizer, and Progabide by Synthelabo.

제조 방법

Acetyl hypofluorite also will fluoro-demetallate benzene derivatives, for example mercury derivatives of phenol gave 4-fluorophenol.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

추가 설명 · 1건

정의ChEBI: 4-fluorophenol is a fluorophenol that is phenol in which the hydrogen para- to the hydroxy group has been replaced by a fluorine. It is a fluorophenol and a member of monofluorobenzenes. It is used as an intermediate in the production of liquid crystals.

연결된 노트

불러오는 중…

4-플루오로페놀

기본 정보

개요