4-플루오로페놀
4-Fluorophenol
기본 정보
- CAS
371-41-5- 표준 SMILES
Oc1ccc(F)cc1- InChIKey
RHMPLDJJXGPMEX-UHFFFAOYSA-N- 분자식
- C6H5FO
- 평균 분자량
- 112.1 g/mol
- 단동위원소 질량
- 112.03244294
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4-fluorophenol is a fluorophenol that is phenol in which the hydrogen para- to the hydroxy group has been replaced by a fluorine.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
PARA-FLUOROPHENOLMFCD000023164-flourophenol4-flurophenol4-Fluoro-phenolNebivolol Impurity 39FLUOROPHENOL, 4-4-HYDROXYPHENYL FLUORIDE
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 Ų
- 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
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
Chemical: Phenol, 4-fluoro-
REACH registered substance: 4-fluorophenol (EC: 206-736-0)
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
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.
상·하류 제품 정보
상류 원료
하류 제품
추가 설명
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.
관련 반응
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