4-메톡시인돌

4-Methoxy-1H-indole

HCID 138363CAS 4837-90-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1cccc2[nH]ccc12
InChIKey: LUNOXNMCFPFPMO-UHFFFAOYSA-N
분자식: C9H9NO
평균 분자량: 147.17 g/mol
단동위원소 질량: 147.06841391

이름 및 식별자

우선 이름: 4-Methoxy-1H-indole
IUPAC: 4-methoxy-1H-indole
현지명: 4-메톡시인돌
영어명: 4-Methoxyindole
분자식: C9H9NO
분자량: 147.17

이름 및 동의어

4-Methoxyindole4-Methoxy-1H-indoleLUNOXNMCFPFPMO-UHFFFAOYSA-DTXSID001975001HIndole, 4methoxyRefChem:524489DTXCID70119991622-799-0InChI=1/C9H9NO/c1-11-9-4-2-3-8-7(9)5-6-10-8/h2-6,10H,1H34837-90-51H-Indole, 4-methoxy-MFCD00009737

이름 더 보기

4-메톡시인돌AKOS JY20826194-METHOXYLINDOLEMethoxyindole,98%4-Methoxyindole>4-Methoxyindole,99%4-Methoxyindole 99%4-METHOXYINDOLE 98+%

1H-Indol-4-yl methyl ether4-methoxy-indoleIndole, 4-methoxy-CS-W008893PB19861AC-23013SY001984EN300-96752

데이터베이스 식별자

CAS: 4837-90-5
PubChem CID: 138363
DTXSID: DTXSID00197500
ChEMBL: CHEMBL2018155
EC Number: 622-799-0
Nikkaji: J236.391G

물성

구조 계산 물성

XLogP: 2.7
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

Physical DescriptionOff-white powder; [Sigma-Aldrich MSDS]

Kovats Retention Index2114

물리화학적 성질

녹는점: 69 · 69-70 °C (lit.)
끓는 점: 181 · 181-183 °C/24 mmHg (lit.)
밀도: 1.1135 · 1.1135 (rough estimate)
굴절률: 1.531 · 1.5310 (estimate)
인화점: 181 · 181-183°C/24mm
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 50 mg/mL, · 에탄올: 용해성50mg/mL, 투명, 희미한 노란색
산도 계수 (pKa): 17.22 · 17.22±0.30(Predicted)
물리적 상태: 결정질 분말 및/또는 덩어리
색상: 하얀색
BRN: 122456 · 122456
InChI: 1S/C9H9NO/c1-11-9-4-2-3-8-7(9)5-6-10-8/h2-6,10H,1H3
InChIKey: LUNOXNMCFPFPMO-UHFFFAOYSA-N
SMILES: COc1cccc2[nH]ccc12
LogP: 2.06 · 2.060 (est)
NIST: 1 H-Indole, · 1H-Indole, 4-methoxy-(4837-90-5)

화학적 성질

light brown to grey crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazards SummaryAn irritant; [Sigma-Aldrich MSDS] See 3-Methylindole.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)

안전 데이터

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

화학 및 산업

응용 분야

용도4-Methoxyindole is a reactant for alpha-ethyltryptamines as dual dopamine-serotonin releasers.

상·하류 제품 정보

하류 제품

4-메톡시-인돌린-2,3-디온 4-MeO-mipt 6-메톡시인돌 4-메톡시-1-메틸-1H-인돌-3-카발데하이드 4-메톡시-L-트립토판 (S)-α-Amino-2,3-dihydro-4-methoxy-5,7-dinitro-δ-oxo-1H-indole-1-pentanoic acid

공급사50 곳

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]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

科瑞迪化学400-821-5857 021-64326257 · [email protected]

Ark Pharm, Inc.847-367-3680 · [email protected]

연결된 노트

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