5-플루오로-2-메틸인돌

5-Fluoro-2-methylindole

HCID 2778715

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 399-72-4
표준 SMILES: Cc1cc2cc(F)ccc2[nH]1
InChIKey: JJIUISYYTFDATN-UHFFFAOYSA-N
분자식: C9H8FN
평균 분자량: 149.16 g/mol
단동위원소 질량: 149.06407748

이름 및 식별자

우선 이름: 5-Fluoro-2-methylindole
IUPAC: 5-fluoro-2-methyl-1H-indole
현지명: 5-플루오로-2-메틸인돌
영어명: 5-Fluoro-2-methylindole
분자식: C9H8FN
분자량: 149.16

이름 및 동의어

5-Fluoro-2-methylindole399-72-45-fluoro-2-methyl-1H-indoleDTXSID30381091RefChem:535841DTXCID00332116609-764-51H-INDOLE, 5-FLUORO-2-METHYL-MFCD020936492-methyl-5-fluoroindole5-fluoro-2-methyl indole5-fluoro-2-methyl-indole

이름 더 보기

5-플루오로-2-메틸인돌5-Fluoro-2-methyl-1H-indole 97%

SCHEMBL12433KUC106615NKSC-09-215DSY020204A6672AM20050248FT-0602023SCHEMBL2073264

데이터베이스 식별자

CAS: 399-72-4
PubChem CID: 2778715
DTXSID: DTXSID30381091
EC Number: 609-764-5
Nikkaji: J3.660.199J

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 15.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 148

물리화학적 성질

녹는점: 98 · 98-101 °C (lit.)
끓는 점: 112 · 112-120C
밀도: 1.219 · 1.219±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: 고체
산도 계수 (pKa): 16.73 · 16.73±0.30(Predicted)
색상: 밝은 노란색에서 갈색까지
InChI: InChI=1S/C9H8FN/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-5,11H,1H3
InChIKey: JJIUISYYTFDATN-UHFFFAOYSA-N
SMILES: N1C2=C(C=C(F)C=C2)C=C1C

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 47 reports by companies from 7 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: 2933998090
risk_code: 36/37/38-25
hazard_code: Xi,T
safety_code: 26-36-45-36/37/39
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 3건

개요5-Fluoro-2-methylindole is a chemical intermediate that can be used in the synthesis of other compounds. It is a versatile building block with many applications, such as being a useful intermediate for the synthesis of heterocyclic compounds. This compound reacts with aniline to form 2,6-diaminopyridine, which has been shown to have anti-inflammatory properties.

용도5-fluoro-2-methylindole was prepared via the Fischer indole synthesis and served as a key indole starting material for constructing a series of aminoalkylindole (AAI) derivatives[3].

일반 설명5-Fluoro-2-methylindole (5-Fluoro-2-methyl-1H-indole) is a 5-substituted-2-methyl-1H-indole.