5-메톡시-1-메틸린돌-3-카르복스알데히드

5-methoxy-1-methyl-1H-indole-3-carbaldehyde

HCID 925973CAS 39974-94-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1ccc2c(c1)c(C=O)cn2C
InChIKey: OFNAEHQJIMREFJ-UHFFFAOYSA-N
분자식: C11H11NO2
평균 분자량: 189.21 g/mol
단동위원소 질량: 189.07897859

이름 및 식별자

우선 이름: 5-methoxy-1-methyl-1H-indole-3-carbaldehyde
IUPAC: 5-methoxy-1-methylindole-3-carbaldehyde
현지명: 5-메톡시-1-메틸린돌-3-카르복스알데히드
영어명: 5-METHOXY-1-METHYLINDOLE-3-CARBOXALDEHYDE
분자식: C11H11NO2
분자량: 189.21

이름 및 동의어

5-methoxy-1-methyl-1H-indole-3-carbaldehyde39974-94-2DTXSID40358951RefChem:303669DTXCID10310006670-298-05-methoxy-1-methylindole-3-carbaldehyde5-Methoxy-1-Methylindole-3-CarboxaldehydeMFCD015783245-methoxy-1-methyl-1H-Indole-3-carboxaldehyde3-Formyl-5-methoxy-1-methylindole1H-Indole-3-carboxaldehyde, 5-methoxy-1-methyl-

이름 더 보기

5-메톡시-1-메틸린돌-3-카르복스알데히드3-Formyl-5-methoxy-1-methyl-1H-indole5-METHOXY-1-METHYL-1H-INDOLE-3-CARBALDEHYD

SCHEMBL1093582CHEMBL1650261AKOS JY2082772OFNAEHQJIMREFJ-UHFFFAOYSA-NALBB-0068655-methoxy-1-methylindole-3-aldehydeSBB002929STK012175

데이터베이스 식별자

CAS: 39974-94-2
PubChem CID: 925973
DTXSID: DTXSID40358951
ChEMBL: CHEMBL1650261
EC Number: 670-298-0
Nikkaji: J2.217.203D

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 31.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 219

물리화학적 성질

녹는점: 133 · 133-136°C
끓는 점: 357.9 · 357.9±22.0 °C(Predicted)
밀도: 1.14 · 1.14±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 고체
색상: 갈색
수용성: 물에 녹지 않습니다.
BRN: 1528827 · 1528827

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 5 reports by companies from 2 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

HS 번호: 2933998090
risk_code: 36/37/38-22
hazard_code: Xn
safety_code: 26-36
위험 등급: IRRITANT

화학 및 산업

응용 분야

용도5-Methoxy-1-methylindole-3-carboxaldehyde is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.