5-메틸린돌-3-카르복스알데하이드

5-Methylindole-3-carboxaldehyde

HCID 259187

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 52562-50-2
표준 SMILES: Cc1ccc2[nH]cc(C=O)c2c1
InChIKey: ZTNQWTPWKNDRNF-UHFFFAOYSA-N
분자식: C10H9NO
평균 분자량: 159.18 g/mol
단동위원소 질량: 159.06841391

이름 및 식별자

우선 이름: 5-Methylindole-3-carboxaldehyde
IUPAC: 5-methyl-1H-indole-3-carbaldehyde
현지명: 5-메틸린돌-3-카르복스알데하이드
영어명: 5-Methylindole-3-carboxaldehyde
분자식: C10H9NO
분자량: 159.18

이름 및 동의어

5-Methylindole-3-carboxaldehydeRefChem:537286625-879-35-methyl-1H-indole-3-carbaldehyde52562-50-2MFCD000227205-Methylindole-3-carboxyaldehyde5-methylindole-3-carbaldehyde5-METHYLINDOLE-3-ALDEHYDENSC888723-formyl-5-methylindoleSCHEMBL1094048

이름 더 보기

5-메틸린돌-3-카르복스알데하이드NSC 88872AKOS JY2082657CBI-BB ZERO/0053135-Methyl-1H-indole-3-carboxaldehyde5-Methylindole-3-carboxaldehyde 98%

DTXSID602933503-Carboxaldehyde, 5-methylindole-ALBB-007648NSC-88872SBB013322STK5046831H-Indole-3-carbaldehyde, 5-methyl-AKOS004116765

데이터베이스 식별자

CAS: 52562-50-2
PubChem CID: 259187
DTXSID: DTXSID60293350
EC Number: 625-879-3
Nikkaji: J2.469.616B

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: 148 · 148-151 °C(lit.)
끓는 점: 348.2 · 348.2±22.0 °C(Predicted)
밀도: 1.226 · 1.226±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 15.68 · 15.68±0.30(Predicted)
InChI: 1S/C10H9NO/c1-7-2-3-10-9(4-7)8(6-12)5-11-10/h2-6,11H,1H3
InChIKey: ZTNQWTPWKNDRNF-UHFFFAOYSA-N
SMILES: Cc1ccc2[nH]cc(C=O)c2c1

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 (100%): 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 40 reports by companies from 3 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

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

안전 데이터

wgk: 3
HS 번호: 2933998090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도5-Methylindole-3-carboxaldehyde was used in the synthesis of novel flexible tripodal ligand derived from 3-methylindole and its mononuclear Zn(II),Cu(II), Ni(II), Hg(II) and Pd(II) complexes.