6-플루오로인돌

6-Fluoroindole

HCID 351278

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 399-51-9
표준 SMILES: Fc1ccc2cc[nH]c2c1
InChIKey: YYFFEPUCAKVRJX-UHFFFAOYSA-N
분자식: C8H6FN
평균 분자량: 135.14 g/mol
단동위원소 질량: 135.04842741

이름 및 식별자

우선 이름: 6-Fluoroindole
IUPAC: 6-fluoro-1H-indole
현지명: 6-플루오로인돌
영어명: 6-Fluoroindole
분자식: C8H6FN
분자량: 135.14

이름 및 동의어

6-FluoroindoleDTXSID10325857RefChem:543248DTXCID30276973700-113-16-fluoro-1H-indole399-51-91H-indole, 6-fluoro-MFCD000569336-fluoro indole6-fluoroindolNSC520436

이름 더 보기

6-플루오로인돌6-FLuoroindoL6-Fluro-1H-indoleBUTTPARK 24\07-346-Fluoroindole98%6-Fluoroindole>6-Fluoroindole 98%

CHEMBL107324CS-W002271NSC-520436F0352EN300-393936-fluoro-indoleAM971NSC 520436

데이터베이스 식별자

CAS: 399-51-9
PubChem CID: 351278
DTXSID: DTXSID10325857
ChEMBL: CHEMBL107324
EC Number: 700-113-1
Nikkaji: J909.706F

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 15.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 126

물리화학적 성질

녹는점: 72 · 72-76 °C (lit.)
끓는 점: 230 °C · 230°C (rough estimate)
밀도: 1.1203 · 1.1203 (estimate)
인화점: 110 ° · >110°
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 결정성 분말
산도 계수 (pKa): 16.4 · 16.40±0.30(Predicted)
색상: 베이지 브라운
수용성: 불용성
BRN: 112192 · 112192
InChI: InChI=1S/C8H6FN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H
InChIKey: YYFFEPUCAKVRJX-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC(F)=C2)C=C1

화학적 성질

beige-brown crystalline powder

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 48 reports by companies from 8 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

wgk: 3
HS 번호: 29339900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
위험 등급: IRRITANT
F 고인화성물질: 10
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도6-Fluoroindole acts as a reagent in the synthesis of tryptophan dioxygenase inhibitors pyridyl-ethenyl-indoles, which acts as a potential anticancer immunomodulator. It is also employed as an antifungal and antibacterial agent. Further, it serves as a potent selective serotonin reuptake inhibitor. In addition to this, it is used as a inhibitor of HIV-1 attachment.

일반 설명6-Fluoroindole is a halogen substituted indole. Experimental ionization potential of 6-fluoroindole has been evaluated. Preparation of 6-fluoroindole via nitration of indoline has been reported.

상·하류 제품 정보

상류 원료

Ethenamine, 2-(4-fluoro-2-nitrophenyl)-N,N-dimethyl-, (1E)-1H-인돌,6-플루오로-1-히드록시-(9CI)벤젠아민,2-에티닐-5-플루오로-(9CI)6-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole 5-클로로-6-플루오로인돌 Hydrazinecarboxamide, 2-[2-(4-fluoro-2-nitrophenyl)ethylidene]-, (2E)-에틸6-플루오로인돌-2-카르복실레이트 6-플루오로인돌-2-카르복실산 4-플루오로-2-니트로톨루엔 N,N-디메틸포름아마이드 디메틸 아세탈

하류 제품

1H-인돌,6-플루오로-4-요오도-6-플루오로인돌-3-아세틱산 (E)-3-(2-(1H-tetrazol-5-yl)vinyl)-6-fluoro-1H-indole 6-플루오로-1H-인돌-3-카르복실산 인돌-6-보론산피나콜에스테르 6-플루오로-2-옥신돌

공급사100 곳

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]

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

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

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