5-클로로인돌-3-카르복스알데히드

5-chloro-1H-indole-3-carbaldehyde

HCID 2795374CAS 827-01-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=Cc1c[nH]c2ccc(Cl)cc12
InChIKey: YXEXOIGXNYITQH-UHFFFAOYSA-N
분자식: C9H6ClNO
평균 분자량: 179.6 g/mol
단동위원소 질량: 179.01379149

개요

5-chloro-3-formylindole is a member of indoles.

이름 및 식별자

우선 이름: 5-chloro-1H-indole-3-carbaldehyde
IUPAC: 5-chloro-1H-indole-3-carbaldehyde
현지명: 5-클로로인돌-3-카르복스알데히드
영어명: 5-Chloroindole-3-carboxaldehyde
분자식: C9H6ClNO
분자량: 179.6

이름 및 동의어

5-chloro-1H-indole-3-carbaldehydeRefChem:534326627-809-75-Chloroindole-3-carboxaldehyde827-01-0MFCD001752915-chloro-3-formylindole1H-Indole-3-carboxaldehyde, 5-chloro-5-chloro indole-3-carboxaldehydeSTK5046435-Chloroindole-3-carboxaldehyde, 98%SB14969

이름 더 보기

5-클로로인돌-3-카르복스알데히드TIMTEC-BB SBB0037565-CHLOROINDOLE-3-ALDEHYDE5-chloro-3-carboxaldehyde5-Chloro-indol-3-carbaldehyde5-Chloro-indole-3-carbaldehyde5-Chloro-3-indolecarboxaldehyde5-Chloro-1H-indol-3-carbaldehyde

AC-18162C3703EN300-1154005-chloroindole-3-carbaldehydeZ11624502005-chloro-1H-indole-3-carboxaldehydeBB 0259464SCHEMBL210595

데이터베이스 식별자

CAS: 827-01-0
PubChem CID: 2795374
DTXSID: DTXSID40383642
ChEMBL: CHEMBL4575856
ChEBI: CHEBI:220572
EC Number: 627-809-7
Nikkaji: J2.211.342I

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 32.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 185

물리화학적 성질

녹는점: 213 · 213-216 °C (lit.)
끓는 점: 373.4 · 373.4±22.0 °C(Predicted)
밀도: 1.431 · 1.431±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 14.59 · 14.59±0.30(Predicted)
물리적 상태: 가루
색상: 밝은 오렌지색
BRN: 123794 · 123794
InChI: InChI=1S/C9H6ClNO/c10-7-1-2-9-8(3-7)6(5-12)4-11-9/h1-5,11H
InChIKey: YXEXOIGXNYITQH-UHFFFAOYSA-N
SMILES: N1C2=C(C=C(Cl)C=C2)C(C=O)=C1

화학적 성질

Yellow to beige 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 46 reports by companies from 5 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: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-36-36/37/39-22
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도5-Chloroindole-3-carboxaldehyde (5-Chloro-1H-indole-3-carboxaldehyde) may be used in the preparation of:5-chloroindole-3-carboxaldehyde isonicotinoyl hydrazine2′-[(5-chloro-1H-indol-3-yl)methyl-ene]-2-(1H-indol-3-yl)acetohydrazide5-chloro-3-(2,2-dibromovinyl)-1-(2-trimethylsilylethoxymethyl)indoleIt may also be used in the preparation of the following hydrazone derivatives: 5-chloroindole-3-carboxaldehyde 3-chlorobenzoylhydrazone5-chloroindole-3-carboxaldehyde 4-nitrobenzoylhydrazone5-chloroindole-3-carboxaldehyde 3-methylbenzoylhydrazone5-chloroindole-3-carboxaldehyde 4-methylbenzoylhydrazone

일반 설명5-Chloroindole-3-carboxaldehyde, also known as 5-chloro-1H-indole-3-carboxaldehyde, is an indole derivative.

상·하류 제품 정보

상류 원료

5-클로로-2-니트로톨루엔 N,N-다이메틸폼아마이드 니켈 포스포러스옥시클로라이드 디메틸포름아미드디에틸아세탈 Benzenepropanoic acid, 5-chloro-2-nitro-α-oxo-5-클로로인돌-2-카르복실산 5-브로모인돌-3-카복스알데히드 5-Chloroindole 포르말린 글리옥실산

하류 제품

5-클로로인돌-3-카르복실산

공급사50 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

上海艾澜医药有限公司021-58099609-8008 13816260319 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

上海炎泽化工有限公司15345144255 19975051755 · [email protected]

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