5-Chloroindole

HCID 87110CAS 17422-32-1
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Clc1ccc2[nH]ccc2c1
InChIKey
MYTGFBZJLDLWQG-UHFFFAOYSA-N
분자식
C8H6ClN
평균 분자량
151.59 g/mol
단동위원소 질량
151.01887687

개요

a positive allosteric modulator of the 5-HT3 receptor

이름 및 식별자

우선 이름
5-Chloroindole
IUPAC
5-chloro-1H-indole
영어명
5-Chloroindole
분자식
C8H6ClN
분자량
151.59

이름 및 동의어

5-Chloroindole17422-32-15-Chloro-1H-indole1H-Indole, 5-chloro-FMJ30GB9J6NSC-89562DTXSID10169793RefChem:534964DTXCID1092284241-448-9MFCD000056723fue
이름 더 보기
oroindoLChloroIndole6-Chloroindole99%5-CHLOROINDOLE99%5-Chloroindole 98%5-Chloroindole >5-Chloroindole ,98%1H-Indole,5-chloro-
Indole, 5-chloro-NSC 89562CHEMBL555013BBL037749STK503692AKOS000266642AB00485CG-0504

데이터베이스 식별자

CAS
17422-32-1
PubChem CID
87110
DTXSID
DTXSID10169793
ChEMBL
CHEMBL555013
UNII
FMJ30GB9J6
EC Number
241-448-9
Nikkaji
J283F

물성

구조 계산 물성

XLogP
2.9
극성 표면적
15.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
0
회전 가능 결합 수
0
무거운 원자 수
10

실험 및 물리화학적 성질

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

물리화학적 성질

녹는점
69 · 69-71 °C (lit.)
끓는 점
130 °C · 130 °C / 0.4mmHg
밀도
1.1976 · 1.1976 (rough estimate)
굴절률
1.5437 · 1.5437 (estimate)
저장 조건
Keep in dark place,Sealed in dry,Room Temperature
용해도
알코올에 용해됩니다.

화학적 성질

White to slightly greyish-green crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

Aggregated GHS information provided per 12 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 CategoriesAcute Tox. 4 (16.7%)

안전 데이터

wgk
3
ridadr
2811
HS 번호
29339990
risk_code
36/37/38-20/21/22
hazard_code
Xn,Xi
safety_code
22-24/25-36-26-37/39

화학 및 산업

응용 분야 · 2건

용도5-Chloroindole is a halo-substituted indole used in the preparation of neurologically active compounds such as atypical antipsychotic agents. 5-Chloroindole has been shown to depress serotonin levels in the brainstem and telencephalon.

일반 설명5-Chloroindole is a 5-substituted indole. It undergoes electropolymerization to form a redox-active film consisting of a cyclic trimer and chains of linked cyclic trimer (polymer). It is a potential positive allosteric modulator (PAM) of the 5-HT3 receptor. It has been reported as strong inhibitor of the copper dissolution in acidic sodium chloride solution. It has been tested as corrosion inhibitor of mild steel in 1N deaerated sulphuric acid. Synthesis of 5-chloroindole, via nitration of indoline has been described.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
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]
T&W GROUP021-61551611 13296011611 · [email protected]

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