6-메틸린돌

1H-Indole, 6-methyl-

HCID 137928CAS 3420-02-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1ccc2cc[nH]c2c1
InChIKey: ONYNOPPOVKYGRS-UHFFFAOYSA-N
분자식: C9H9N
평균 분자량: 131.17 g/mol
단동위원소 질량: 131.07349929

개요

6-Methyl indole is a member of indoles.

이름 및 식별자

우선 이름: 1H-Indole, 6-methyl-
IUPAC: 6-methyl-1H-indole
현지명: 6-메틸린돌
영어명: 6-Methylindole
분자식: C9H9N
분자량: 131.17

이름 및 동의어

6-Methyl-1H-indole3420-02-81H-Indole, 6-methyl-6-Methyl-H-indoleQTM6OJZ56SDTXSID00187789RefChem:438697DTXCID10110280625-234-6InChI=1/C9H9N/c1-7-2-3-8-4-5-10-9(8)6-7/h2-6,10H,1H6-Methylindole6-Methyl indole

이름 더 보기

6-메틸린돌CP085029-16-Methyindole6-MetlylindoleAKOS JY20828116-Methylindole>6-Methylindole,99%6-METHYLINDOLE 99%

MFCD00005682Indole, 6-methyl-6-Methylindole, 97%6-Methyl-1H-indole #AKOS004116725CS-W007349HY-W007349EN300-39430

데이터베이스 식별자

CAS: 3420-02-8
PubChem CID: 137928
DTXSID: DTXSID00187789
ChEBI: CHEBI:229031
UNII: QTM6OJZ56S
EC Number: 625-234-6
Nikkaji: J45.592J

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 15.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 0
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 122

물리화학적 성질

녹는점: 29 · 29-32°C
끓는 점: 112 °C/5 · 112 °C/5 mmHg (lit.)
밀도: 1.059 g/mL · 1.059 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.607(lit.)
인화점: 230 °F · >230 °F
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
산도 계수 (pKa): 17.36 · 17.36±0.30(Predicted)
물리적 상태: 녹은 후에 액체
Specific Gravity: 1.059 · 1.059
색상: 맑은 노란색에서 연한 갈색까지
수용성: 물에 불용성.
BRN: 109708 · 109708
InChI: 1S/C9H9N/c1-7-2-3-8-4-5-10-9(8)6-7/h2-6,10H,1H3
InChIKey: ONYNOPPOVKYGRS-UHFFFAOYSA-N
SMILES: Cc1ccc2cc[nH]c2c1
LogP: 2.6 · 2.600 (est)
NIST: 1 H-Indole, · 1H-Indole, 6-methyl-(3420-02-8)

화학적 성질

clear yellow to light brown liquid after melting

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 43 reports by companies from 6 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

wgk: 3
ridadr: UN 3334
HS 번호: 29339900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: IRRITANT, LIGHT SENSITIVE
위험 참고 사항: Light Sensitive/Irritant/Keep Cold
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도6-Methylindole was used in the synthesis of benz[c,d]indol-3(1H)-one derivatives. Reactant for preparation of tryptophan dioxygenase inhibitors pyridyl-ethenyl-indoles as potential anticancer immunomodulatorsReactant for preparation of indole linked triazole derivatives as antifungal agentsReactant for preparation of N-β-D-xylosyl-indole derivatives as SGLT2 inhibitors for management of hyperglycemia in diabetesReactant for preparation of aminoguanidine derivatives of arylsulfonylacylindoles as antifungal agentsReactant for preparation of indolylindazoles and indolylpyrazolopyridines as interleukin-2 inducible T cell kinase inhibitorsReactant for preparation of arylsulfonylacetylindoles as anti-HIV-1 agents