6-플루오로인돌린

6-fluoro-2,3-dihydro-1H-indole

HCID 260400CAS 2343-23-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Fc1ccc2c(c1)NCC2
InChIKey: PBLNKUULIMDAIC-UHFFFAOYSA-N
분자식: C8H8FN
평균 분자량: 137.15 g/mol
단동위원소 질량: 137.06407742

이름 및 식별자

우선 이름: 6-fluoro-2,3-dihydro-1H-indole
IUPAC: 6-fluoro-2,3-dihydro-1H-indole
현지명: 6-플루오로인돌린
영어명: 6-Fluoroindoline
분자식: C8H8FN
분자량: 137.15

이름 및 동의어

6-fluoro-2,3-dihydro-1H-indoleRefChem:543102985-086-66-Fluoroindoline2343-23-91H-Indole, 6-fluoro-2,3-dihydro-MFCD00022791NSC915632,3-dihydro-6-fluoroindoleSCHEMBL5492522,3-dihydro-6-fluoro-indoleNSC-91563

이름 더 보기

6-플루오로인돌린6-Fluoroindoline in stock Factory6-FLUORO-2,3-DIHYDRO-1H-INDOLE HYDROCHLORIDE

AB01334EN300-59996F21334Z4408035761H-INDOLE,6-FLUORO-2,3-DIHYDRO-AMY135876-FluorIndoline, 6-fluoro-

데이터베이스 식별자

CAS: 2343-23-9
PubChem CID: 260400
DTXSID: DTXSID70293700
EC Number: 985-086-6

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 12 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 126

물리화학적 성질

끓는 점: 70 · 70-72 °C(Press: 0.3 Torr)
밀도: 1.154 · 1.154±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 4.44 · 4.44±0.20(Predicted)
InChI: InChI=1S/C8H8FN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-2,5,10H,3-4H2
InChIKey: PBLNKUULIMDAIC-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC(F)=C2)CC1

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.