4-플루오로페닐아세트산

2-(4-Fluorophenyl)acetic acid

HCID 9837CAS 405-50-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)Cc1ccc(F)cc1
InChIKey: MGKPFALCNDRSQD-UHFFFAOYSA-N
분자식: C8H7FO2
평균 분자량: 154.14 g/mol
단동위원소 질량: 154.04300768

개요

a positron emitting tumor imaging agent; structure in first source

이름 및 식별자

우선 이름: 2-(4-Fluorophenyl)acetic acid
IUPAC: 2-(4-fluorophenyl)acetic acid
현지명: 4-플루오로페닐아세트산
영어명: 4-Fluorophenylacetic acid
분자식: C8H7FO2
분자량: 154.14

이름 및 동의어

2-(4-Fluorophenyl)acetic acidFPAA cpdRefChem:8580734-FLUOROPHENYLACETIC ACID405-50-5p-Fluorophenylacetic acid(4-Fluorophenyl)acetic acidBenzeneacetic acid, 4-fluoro-4-Fluorobenzeneacetic acidMFCD00004343Acetic acid, (p-fluorophenyl)-(p-Fluorophenyl)acetic acid

이름 더 보기

4-플루오로페닐아세트산RARECHEM AL BO 01314-FluorophenylaceticOf the acid fluoride2-(4-fluorophenyl)acetate

Ba 2821S5YJV7CAZ1(4-fluoro-phenyl)-acetic acid2-(4-fluorophenyl)-acetic acidNSC-402UNII-S5YJV7CAZ14-fluorophenyl acetic acidNSC 402

데이터베이스 식별자

CAS: 405-50-5
PubChem CID: 9837
DTXSID: DTXSID0059956
UNII: S5YJV7CAZ1
EC Number: 206-972-4
Nikkaji: J46I

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 139

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Metabolite of Pipamperone

LogP1.6

물리화학적 성질

녹는점: 81 · 81-83 °C (lit.)
끓는 점: 164 °C · 164°C (2.25 torr)
밀도: 1.185 · 1.1850 (estimate)
인화점: 100 °C · >100°C
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 1 · pK1:4.25 (25°C)
물리적 상태: 반짝이는 결정성 분말 또는 플레이크
색상: 하얀색
수용성: 물에 불용성.
Merck: 14 · 14,4177
BRN: 972145 · 972145
InChI: InChI=1S/C8H7FO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey: MGKPFALCNDRSQD-UHFFFAOYSA-N
SMILES: C1(CC(O)=O)=CC=C(F)C=C1
NIST: 4 · Benzeneacetic acid, 4-fluoro-(405-50-5)
EPA: 4 · Benzeneacetic acid, 4-fluoro- (405-50-5)

화학적 성질

white shiny crystalline powder or flakes

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 2% (1 of 51) of reports.

Warning

H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationBenzeneacetic acid, 4-fluoro-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (98%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29163900
risk_code: 38-36/37/38
hazard_code: Xi
safety_code: 22-24/25-36/37/39-27-26
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzeneacetic acid, 4-fluoro-: INACTIVE

응용 분야

용도4-Fluorophenylacetic acid is used as an intermediate in the production of fluorinated anesthetics.

상·하류 제품 정보

상류 원료

2,3-DICHLORO-5,8-DIHYDROXY-1,4-나프토퀴논 벤즈알데히드,4-플루오로-,히드라존(9CI)2,3,4,6-Tetra-O-pivaloyl-D-glucopyranosyl amine 메틸4-플루오로페닐아세테이트,99 4-플루오로벤질보론산피나콜에스테르 4-Fluorophenylacetic acid ethyl ester 4-Fluorophenylacetylene 4-Fluorobenzyl bromide 4-플루오로스티렌 플로로벤질클로라이드

하류 제품

4-Fluorophenylacetyl chloride 1,2-BIS-(4-플루오로페닐)에타논 4-Fluorobenzyl isocyanate N-(2,2-디클로로-1-히드록시에틸)-4-플루오로벤젠아세트아미드 (4-Fluorophenyl)acetic-2,2-d2 Acid

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [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]

上海赫文斯化工有限公司15721252604 17321035817 · [email protected]

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