6-메틸린돌-3-카르복스알데하이드

6-Methylindole-3-carboxaldehyde

HCID 4777902CAS 4771-49-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1ccc2c(C=O)c[nH]c2c1
InChIKey: LZERQSJGPXFAKB-UHFFFAOYSA-N
분자식: C10H9NO
평균 분자량: 159.18 g/mol
단동위원소 질량: 159.06841391

이름 및 식별자

우선 이름: 6-Methylindole-3-carboxaldehyde
IUPAC: 6-methyl-1H-indole-3-carbaldehyde
현지명: 6-메틸린돌-3-카르복스알데하이드
영어명: 6-METHYLINDOLE-3-CARBOXALDEHYDE
분자식: C10H9NO
분자량: 159.18

이름 및 동의어

4771-49-76-Methylindole-3-carboxaldehydeDTXSID60406468RefChem:309092DTXCID603573206-Methylindole-3-carboxyaldehyde6-methyl-1H-indole-3-carbaldehyde6-methylindole-3-carbaldehyde1H-Indole-3-carboxaldehyde, 6-methyl-MFCD00049347SCHEMBL1049957AKOS004119710

이름 더 보기

6-메틸린돌-3-카르복스알데하이드AKOS JY20835886-Methylindole-3-caboxaldehyde6-Methyl-1H-indol-3-carbaldehyde6-Methylindole-3-carboxaldehyde,98%

NCGC00325999-016-Methylindole-3-aldehyde6-Methylin6-methyl-1H-indole-3-carboxaldehyde3-Formyl-6-methylindoleA827311SCHEMBL13453375SCHEMBL29935657

데이터베이스 식별자

CAS: 4771-49-7
PubChem CID: 4777902
DTXSID: DTXSID60406468
EC Number: 676-494-2
Nikkaji: J3.657.032F

물성

구조 계산 물성

XLogP: 2
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: 181

물리화학적 성질

녹는점: 185 · 185-189°C
끓는 점: 339.3 · 339.3±22.0 °C(Predicted)
밀도: 1.226 · 1.226±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 15.86 · 15.86±0.30(Predicted)
BRN: 386914 · 386914

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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

안전 데이터

HS 번호: 2933998090
risk_code: 36/37/38-36-22
hazard_code: Xi,Xn
safety_code: 26-36
위험 참고 사항: Irritant

화학 및 산업

응용 분야 · 1건

용도6-Methylindole-3-carboxaldehyde is an indole compound that can be prepared by the C3-formylation of indole with formaldehyde and ammonia catalysed by iron in air. The substance can also be used to prepare other nitrogen-containing heterocyclic compounds, which are widely used in chemical manufacturing, medicine, dyes and luminescent materials.