5-Methylindole (HCID 11978)

개요

structure given in first source

이름 및 식별자

우선 이름: 5-Methylindole
IUPAC: 5-methyl-1H-indole
현지명: 5-메틸린돌
영어명: 5-Methylindole
분자식: C9H9N
분자량: 131.17

이름 및 동의어

5-METHYLINDOLE614-96-0DTXSID6060638KT52363RI5NSC-522562RefChem:537284DTXCID2043030210-400-95-Methyl-1H-indole1H-Indole, 5-methyl-Indole, 5-methyl-5-Methylindol

이름 더 보기

5-메틸린돌5-METLYLINDOLEAKOS JY20829555-Methylindole>5-Methylindole,99%1H-Indole,5-methyl-

5-methyl indoleMFCD000056805-methyl-indoleNSC 522562UNII-KT52363RI55-Methylindole, 99%916979-65-2BBL011007

데이터베이스 식별자

CAS: 614-96-0
PubChem CID: 11978
DTXSID: DTXSID6060638
ChEMBL: CHEMBL112462
UNII: KT52363RI5
EC Number: 210-400-9
Nikkaji: J45.591A

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 15.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 0
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 122

실험 및 물리화학적 성질

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

물리화학적 성질

녹는점: 60 · 60-62 °C (lit.)
끓는 점: 100 °C/3mm · 100°C/3mm
밀도: 1.0202 · 1.0202
굴절률: 1.607 · 1.6070 (estimate)
인화점: 100 °C/3mm · 100°C/3mm
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 17.17 · 17.17±0.30(Predicted)
물리적 상태: 결정질 고체
색상: 흰색에서 약간 베이지색
수용성: 물에 불용성.
BRN: 2228 · 2228
InChI: 1S/C9H9N/c1-7-2-3-9-8(6-7)4-5-10-9/h2-6,10H,1H3
InChIKey: YPKBCLZFIYBSHK-UHFFFAOYSA-N
SMILES: Cc1ccc2[nH]ccc2c1
LogP: 2.68 · 2.680
NIST: 1 H-Indole, · 1H-Indole, 5-methyl-(614-96-0)
EPA: 5 · 5-Methylindole (614-96-0)

화학적 성질

white to slightly beige crystalline solid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 2.1% (1 of 47) of reports.

Warning

H315 (97.9%): 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 (97.9%)

안전 데이터

wgk: 3
ridadr: UN3335
HS 번호: 29339900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-24/25
위험 참고 사항: Light Sensitive/Keep Cold
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도5-Methylindole is used in the synthesis of novel protein kinase inhibitors.

일반 설명The binding of 5-methylindole (inducer) to the Escherichia coli trp repressor has been studied. The mass analyzed threshold ionization spectra of jetcooled 5-methylindole (5MI) has also been studied.

상·하류 제품 정보

상류 원료

아세트산 팔라듐 (II)2-Bromo-4-methylaniline 2-피로리딘온,1-에테닐-브로모아세트알데히드디에틸아세탈 2,3-DICHLORO-5,8-DIHYDROXY-1,4-나프토퀴논 1H-Indole, 5-methyl-1-(methylsulfonyl)-트리-o-톨릴포스핀 Benzenamine, 2-ethenyl-4-methyl-Benzenamine, 4-methyl-2-[2-(trimethylsilyl)ethynyl]-5-METHYL-1H-INDOLE-3-CARBOXYLIC ACID 5-메틸린돌린 5-methyl-2-Indolinone

하류 제품

에탄올,2-(4-메틸페닐)아미노-5-METHYLTRYPTAMINE HYDROCHLORIDE 5-메틸린돌-3-카르복실산메틸에스테르 5-METHYL-DL-TRYPTOPHAN 5-메틸-2-페닐린돌

공급사50 곳

常州帝通化工有限公司+86-0519-88298848 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

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

南通润丰石油化工有限公司66017690 19952660367 · [email protected]

연결된 노트

불러오는 중…

5-Methylindole

기본 정보

개요