4-Fluorobenzonitrile (HCID 14517)

개요

4-Fluorobenzonitrile is a nitrile and a member of benzenes.

이름 및 식별자

우선 이름: 4-Fluorobenzonitrile
IUPAC: 4-fluorobenzonitrile
현지명: 4-플루오르벤조니트릴
영어명: 4-Fluorobenzonitrile
분자식: C7H4FN
분자량: 121.11

이름 및 동의어

4-FluorobenzonitrileBenzonitrile, 4-fluoro-4-CYANOFLUOROBENZENE4-fluorocyanobenzeneEINECS 214-784-94VJG35CQV3NSC 88330NSC-88330DTXSID60616004-FLUORO-BENZOIC ACID-NITRILERefChem:99005DTXCID4033502

이름 더 보기

4-플루오로벤조나이트릴4-플루오르벤조니트릴PFBNFor fluorobenzonitrile4-fluoronitrile4-florobenzonitrileP-Fluorobenzonitile4-fluoro-benzonitrilp-fluoro-benzonitril

214-784-9AEKVBBNGWBBYLL-UHFFFAOYSA-NInChI=1/C7H4FN/c8-7-3-1-6(5-9)2-4-7/h1-41194-02-1p-Fluorobenzonitrilep-CyanofluorobenzeneBENZONITRILE, p-FLUORO-1-CYANO-4-FLUOROBENZENE

데이터베이스 식별자

CAS: 1194-02-1
PubChem CID: 14517
DTXSID: DTXSID6061600
ChEMBL: CHEMBL3248213
ChEBI: CHEBI:194793
UNII: 4VJG35CQV3
EC Number: 214-784-9
Nikkaji: J124D

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 23.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 127

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

물리화학적 성질

녹는점: 32 · 32-34 °C (lit.)
끓는 점: 188 °C/750 · 188 °C/750 mmHg (lit.)
밀도: 1.107 · 1.1070
굴절률: 1.4925 · 1.4925
인화점: 150 °F · 150 °F
저장 조건: Sealed in dry,Room Temperature
용해도: soluble in Chloroform, Ethyl Acetate
물리적 상태: 결정질 저융점 고체
색상: 하얀색
수용성: 물에 불용성.
BRN: 2041517 · 2041517
InChI: 1S/C7H4FN/c8-7-3-1-6(5-9)2-4-7/h1-4H
InChIKey: AEKVBBNGWBBYLL-UHFFFAOYSA-N
SMILES: Fc1ccc(cc1)C#N
NIST: 4 · Benzonitrile, 4-fluoro-(1194-02-1)
EPA: 4 · 4-Fluorobenzonitrile (1194-02-1)

화학적 성질

white crystalline low melting solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H228 (13.6%): Flammable solid [Danger Flammable solids]

P210, P240, P241, 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, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 59 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Benzonitrile, 4-fluoro-

Status: Active Update: 19-06-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31129

Hazard Classes and CategoriesFlam. Sol. 1 (13.6%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: DI4368500
ridadr: UN 1325
독성: mouse,LD50,intraperitoneal,1gm/kg (1000mg/kg),Farmaco, Edizione Scientifica. Vol. 41, Pg. 41, 1986.
HS 번호: 29269095
risk_code: 20/21/22-36/37/38
hazard_code: Xn,T,Xi
safety_code: 36/37-36/37/39-26-36
포장분류: Ⅱ
위험 등급: 4.1
위험 참고 사항: Toxic
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralFlam. Sol. 1
스토리지 클래스: 4.1B - Flammable solid hazardous materials

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzonitrile, 4-fluoro-: ACTIVE

응용 분야

용도4-Fluorobenzonitrile is used in the synthesis of flurenones, pharmaceutical prerequisites, as well as opiod receptor antagonists.

일반 설명4-Fluorobenzonitrile undergoes metal-mediated coupling to yield eight-membered thorium(IV) tetraazamacrocycle. It undergoes condensation with diphenylamine to yield monomer 4-cyanotriphenylamine.

상·하류 제품 정보

상류 원료

Benzonitrile, 4-(4,4-dimethyl-1-piperidinyl)-4,4-디메틸피페리디늄클로라이드

하류 제품

4-몰폴리노벤질아민 4-Fluorobenzamidine hydrochloride 4-Piperazin-1-yl-benzoic acid 4-Fluoro-benzamidine 3-Fluoro-2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile 4,4'-(piperazine-1,4-diyl)dibenzonitrile 2-Bromo-4-fluorobenzonitrile 4-N-부톡시벤조니트릴 3,5-디메틸모르폴린 메틸4-메르캅토벤조에이트 4,4',4"-(벤젠-1,3,5-트리일트리스(옥시))트리벤조산 1-플루오로-4-(1-메틸에테닐)벤젠

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]

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

INTATRADE GmbH+49 3493/605464 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

연결된 노트

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4-플루오르벤조니트릴

기본 정보

개요