1-메틸-2-페닐인돌

1-Methyl-2-phenylindole

HCID 77095CAS 3558-24-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cn1c(-c2ccccc2)cc2ccccc21
InChIKey: SFWZZSXCWQTORH-UHFFFAOYSA-N
분자식: C15H13N
평균 분자량: 207.27 g/mol
단동위원소 질량: 207.10479942

이름 및 식별자

우선 이름: 1-Methyl-2-phenylindole
IUPAC: 1-methyl-2-phenylindole
현지명: 1-메틸-2-페닐인돌
영어명: 1-Methyl-2-phenylindole
분자식: C15H13N
분자량: 207.27

이름 및 동의어

1-Methyl-2-phenylindole3558-24-51H-Indole, 1-methyl-2-phenyl-2-Phenyl-N-methylindoleN-Methyl-2-phenylindoleIndole, 1-methyl-2-phenyl-IE3UB978IADTXSID5063073NSC-63793RefChem:830402DTXCID1039054222-618-1

이름 더 보기

1-메틸-2-페닐인돌1-Methyl-2-Phenylindol1-Methyl-2-phenylindole>1-methyl-2-phenyl-1h-indol2-Phenyl-1-methyl-1H-indole

1-Methyl-2-phenyl-1H-indoleMFCD00022892NSC 637931-methyl-2-phenyl-indoleUNII-IE3UB978IA1-methyl-2-phenyl-1H-indolSTK202660AKOS001426229

데이터베이스 식별자

CAS: 3558-24-5
PubChem CID: 77095
DTXSID: DTXSID5063073
ChEMBL: CHEMBL1545735
UNII: IE3UB978IA
EC Number: 222-618-1
Nikkaji: J151.179C

물성

구조 계산 물성

XLogP: 4.1
극성 표면적: 4.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 1
무거운 원자 수: 16
형식 전하: 0
복잡도: 232

실험 및 물리화학적 성질

Solubility0.6 [ug/mL] (The mean of the results at pH 7.4)

물리화학적 성질

녹는점: 98 · 98-100 °C (lit.)
끓는 점: 336.3 °C · 336.3°C (rough estimate)
밀도: 1.088 · 1.0880 (rough estimate)
굴절률: 1.572 · 1.5720 (estimate)
저장 조건: 2 · 2-8°C
물리적 상태: powder to crystal
색상: 흰색에서 밝은 노란색
BRN: 148770 · 148770
InChI: InChI=1S/C15H13N/c1-16-14-10-6-5-9-13(14)11-15(16)12-7-3-2-4-8-12/h2-11H,1H3
InChIKey: SFWZZSXCWQTORH-UHFFFAOYSA-N
SMILES: N1(C)C2=C(C=CC=C2)C=C1C1=CC=CC=C1
EPA: 1 H-Indole, · 1H-Indole, 1-methyl-2-phenyl- (3558-24-5)

화학적 성질

WHITE TO LIGHT GREEN-TAN CRYSTALS OR CRYST. POWDER

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 39 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

wgk: 3
tsca: TSCA listed
HS 번호: 29339900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 24/25-26
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing Information1H-Indole, 1-methyl-2-phenyl-: ACTIVE

응용 분야 · 2건

용도Reactant for preparation of: Cyano indolesDifluorohydroxy indolesReactant for:Carboxylation of indolesAllylation of indolesFormylation of indolesNitrosylation of indoles

일반 설명Reaction of 1-methyl-2-phenylindole with nitrogen dioxide or with nitrous acid (NaNO2-CH3COOH) in benzene has been studied. 1-Methyl-2-phenylindole is reported to react with malondialdehyde (MDA) and 4-hydroxyalkenals to afford a stable chromophore with intense maximal absorbance at 586nm.