5-Methoxyindole (HCID 13872)

개요

5-methoxyindole is a member of indoles.

이름 및 식별자

우선 이름: 5-Methoxyindole
IUPAC: 5-methoxy-1H-indole
영어명: 5-Methoxyindole
분자식: C9H9NO
분자량: 147.17

이름 및 동의어

5-METHOXYINDOLE1006-94-65-Methoxy-1H-indole1H-Indole, 5-methoxy-FemedolIndole, 5-methoxy-5-Methoxy indoleIndol-5-yl methyl etherDQM3AS43PQNSC-521752DTXSID80143424RefChem:103062

이름 더 보기

Methoxyindole 99% indol-5-yl methyl ether5-methoxy-indolAKOS JY2082918methoxy-5indole5-MethoxyindoleF

DTXCID2065915213-745-3Methoxy-5 indoleMFCD000056745Methoxyindole5-methoxyindol5-methoxy-indoleNSC 521752

데이터베이스 식별자

CAS: 1006-94-6
PubChem CID: 13872
DTXSID: DTXSID80143424
ChEMBL: CHEMBL280311
ChEBI: CHEBI:167807
UNII: DQM3AS43PQ
EC Number: 213-745-3
Nikkaji: J12.258K

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 25 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 138

실험 및 물리화학적 성질

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

물리화학적 성질

녹는점: 52 · 52-55 °C (lit.)
끓는 점: 176 · 176-178 °C/17 mmHg (lit.)
밀도: 1.1135 · 1.1135 (rough estimate)
굴절률: 1.531 · 1.5310 (estimate)
인화점: 176 · 176-178°C/17mm
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름, 메탄올에 용해됨
산도 계수 (pKa): 16.7 · 16.70±0.30(Predicted)
물리적 상태: 결정성 분말
색상: 흰색에서 밝은 갈색을 띤다
수용성: 불용성
BRN: 116722 · 116722
InChI: 1S/C9H9NO/c1-11-8-2-3-9-7(6-8)4-5-10-9/h2-6,10H,1H3
InChIKey: DWAQDRSOVMLGRQ-UHFFFAOYSA-N
SMILES: COc1ccc2[nH]ccc2c1
NIST: 1 H-Indole, · 1H-Indole, 5-methoxy-(1006-94-6)

화학적 성질

white to light brownish crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 3.8% (2 of 52) of reports.

Warning

H315 (96.2%): 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 52 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (96.2%)

안전 데이터

wgk: 3
rtecs: NL9500000
HS 번호: 29339900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-24/25-37/39
위험 등급: IRRITANT, KEEP COLD, LIGHT SENSITIVE
F 고인화성물질: 8
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도5-Methoxyindole (cas# 1006-94-6) is a compound useful in organic synthesis. It can be used to synthesis 1-(Phenylsulfonyl)-5-methoxy-1H-indole.

제조 방법 · 1건

The synthesis of 5-methoxyindole from 5-methoxy-2-oxindole: Conversion of 5-methoxy-2-oxindole to 5-methoxyindole was accomplishedby the chlorination of 5-methoxy-2-oxindole with triphenylphosphine-carbontetrachloride in acetonitrile followed by the catalytic reduction of a chlorine atom in 66% total yield.

상·하류 제품 정보

상류 원료

EthenaMine, 2-(5-Methoxy-2-nitrophenyl)-N,N-diMethyl-, (1E)-1-Propanone, 1-(5-methoxy-1H-indol-1-yl)-2,2-dimethyl-Benzene, 2-ethenyl-4-methoxy-1-nitro-5-메톡시인돌-3-카복스알데히드 Phosphonium, [2-(1,1-dimethylethoxy)-2-oxoethyl]triphenyl-, inner salt 1-BOC-5-메톡시인돌 5-methoxy-1-[(4-methylphenyl)sulfonyl]-1H-Indole 5-Methoxy-2-nitrobenzaldehyde 5-메톡시-2,3-디하이드로인돌린 트리에탄올아민 하이드로클로라이드 (5-메톡시-2-니트로-페닐)-아세토니트릴 5-Methoxy-3-indolecarboxylic acid

하류 제품

5-Methoxy-DL-tryptophan 5-메톡시그라민 2-Amino-5-methoxybenzoic acid

공급사50 곳

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]

INTATRADE GmbH+49 3493/605464 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

연결된 노트

불러오는 중…

5-Methoxyindole

기본 정보

개요