1-(3-Chloropropoxy)-4-fluorobenzene

HCID 74391

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1716-42-3
표준 SMILES: Fc1ccc(OCCCCl)cc1
InChIKey: DFFWYMMOMUTKOI-UHFFFAOYSA-N
분자식: C9H10ClFO
평균 분자량: 188.62 g/mol
단동위원소 질량: 188.04042084

이름 및 식별자

우선 이름: 1-(3-Chloropropoxy)-4-fluorobenzene
IUPAC: 1-(3-chloropropoxy)-4-fluorobenzene
영어명: 1-(3-Chloropropoxy)-4-fluorobenzene
분자식: C9H10ClFO
분자량: 188.63

이름 및 동의어

1-(3-Chloropropoxy)-4-fluorobenzene1716-42-3EINECS 217-000-3DFFWYMMOMUTKOI-UHFFFAOYSA-DTXSID50169136RefChem:74318DTXCID2091627217-000-3InChI=1/C9H10ClFO/c10-6-1-7-12-9-4-2-8(11)3-5-9/h2-5H,1,6-7H23-(4-Fluorophenoxy)propyl ChlorideMFCD000189863-chloro-1-(4-fluorophenoxy)propane

이름 더 보기

TIMTEC-BB SBB0036741-(3-Chloropropoxy)-4-FluorochloropropylanisoleFluorophenoxy)propylchloride1-(3-Chloropropoxy)-4-fluoro4-Fluorophenoxypropyl chloride1-Chloro-3-(4-fluorophenoxy)pr3-CHLOROPROPYL 4-FLUOROPHENYL ETHER1-(4-fluorophenoxy)-3-chloropropane

Benzene, 1-(3-chloropropoxy)-4-fluoro-1-(3-chloro-propoxy)-4-fluorobenzene1-chloro-3-(4-fluorophenoxy)-propane3-(4-Fluorophenoxy)propyl chloride, 1-chloro-3-(4-fluorophenoxy)-propane1-(3-chloropropoxy)-4-fluoro-benzeneSCHEMBL167606SCHEMBL97217483-(4-Fluorophenosy)propylchloride

데이터베이스 식별자

CAS: 1716-42-3
PubChem CID: 74391
DTXSID: DTXSID50169136
EC Number: 217-000-3
Nikkaji: J203.109D

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 9.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 12
형식 전하: 0
복잡도: 113

물리화학적 성질

끓는 점: 118 · 118-120 °C (10 mmHg)
밀도: 1.2 · 1.2
굴절률: 1.504 · 1.504-1.508
저장 조건: Sealed in dry,Room Temperature

화학적 성질

CLEAR YELLOWISH TO ORANGE LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): 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 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

ridadr: 3265
HS 번호: 29093090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 24/25-36-26
위험 참고 사항: Irritant

화학 및 산업

응용 분야 · 1건

용도1-(3-Chloropropoxy)-4-fluorobenzene was used as a reagent in the preparation of a library of hydantoin compds which has used to study Aurora kinase A inhibitory activity. It was also used as an alkylation agent in the preparation of tetracyclic quinoxaline butyrophenones as 5-HT2A and postsynaptic D2 antagonists and inhibitors of serotonin transporter for treatment of neuropsychiatric and neurological disorders.