4-Fluoroindole

HCID 2774502

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 387-43-9
표준 SMILES: Fc1cccc2[nH]ccc12
InChIKey: ZWKIJOPJWWZLDI-UHFFFAOYSA-N
분자식: C8H6FN
평균 분자량: 135.14 g/mol
단동위원소 질량: 135.04842741

이름 및 식별자

우선 이름: 4-Fluoroindole
IUPAC: 4-fluoro-1H-indole
영어명: 4-Fluoroindole
분자식: C8H6FN
분자량: 135.14

이름 및 동의어

4-Fluoroindole387-43-9DTXSID00379061RefChem:523430DTXCID70330088625-248-24-Fluoro-1H-indoleMFCD00055992CHEMBL61208381H-Indole, 4-fluoro-4-fluoro-indoleindole, 4-fluoro-

이름 더 보기

4-FLUORO-2-METHYLINDOLESKL2784-Fluoroindole>4-Fluoroindole98%4-Fluoroindole,96%4 - fluorine indole4-Fluoroindole ,97%4-FLUOROINDOLE(4FI)

4-Fluoroindole, 97%BIDD:GT0103SCHEMBL442418SCHEMBL680718SCHEMBL846958orb3029954SCHEMBL1564443SCHEMBL1966793

데이터베이스 식별자

CAS: 387-43-9
PubChem CID: 2774502
DTXSID: DTXSID00379061
ChEMBL: CHEMBL6120838
EC Number: 625-248-2
Nikkaji: J1.328.763E

물성

구조 계산 물성

XLogP: 2.8
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: 30 · 30-32 °C(lit.)
끓는 점: 90 °C0.4 · 90 °C0.4 mm Hg(lit.)
밀도: 1.1203 · 1.1203 (estimate)
인화점: 110 ° · >110°
저장 조건: -20 °C · Sealed in dry,Store in freezer, under -20°C
용해도: 메탄올에 용해됨
물리적 상태: 결정성 분말
산도 계수 (pKa): 16.4 · 16.40±0.30(Predicted)
색상: 노란색에서 황갈색까지
InChI: InChI=1S/C8H6FN/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5,10H
InChIKey: ZWKIJOPJWWZLDI-UHFFFAOYSA-N
SMILES: N1C2=C(C(F)=CC=C2)C=C1

화학적 성질

Beige low melting solid

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 45 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
위험 참고 사항: Irritant

화학 및 산업

응용 분야 · 1건

용도Reactant for preparation of tryptophan dioxygenase inhibitors pyridyl-ethenyl-indoles as potential anticancer immunomodulators 1 Reactant for preparation of antifungal agents 2 Reactant for preparation of Sodium-Dependent Glucose Co-transporter 2 (SGLT2) Inhibitors for the Management of Hyperglycemia in Diabetes 3 Reactant for preparation of Potent Selective Serotonin Reuptake Inhibitors 4 Reactant for preparation of Inhibitors of HIV-1 attachment 5 Reactant for preparation of monoamine reuptake inhibitors 6 Reactant for preparation of histone deacetylase (HDAC) inhibitors 7 Reactant for preparation of inhibitors of proliferation of human breast cancer cells.