2-페닐린돌

2-Phenylindole

HCID 13698CAS 948-65-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: c1ccc(-c2cc3ccccc3[nH]2)cc1
InChIKey: KLLLJCACIRKBDT-UHFFFAOYSA-N
분자식: C14H11N
평균 분자량: 193.24 g/mol
단동위원소 질량: 193.08914935

개요

2-phenyl-1H-indole is a phenylindole.

이름 및 식별자

우선 이름: 2-Phenylindole
IUPAC: 2-phenyl-1H-indole
현지명: 2-페닐린돌
영어명: 2-Phenylindole
분자식: C14H11N
분자량: 193.24

이름 및 동의어

2-Phenylindole2-PHENYL-1H-INDOLE948-65-21H-Indole, 2-phenyl-Indole, 2-phenyl-Stabilizer Ialpha-PhenylindoleMQD44HV3P1NSC-15776DTXSID80613431H-Indole, 2-phenylRefChem:89089

이름 더 보기

2-페닐린돌1H-Indole,2-phenyl-NSC 15776stabilizeri-PhenylindoleA-PHENYLINDOLa-Phenylindole2-phenyl-indol

DTXCID3048940213-436-32-PHENYL INDOLEMFCD00005608.alpha.-PhenylindolePhenylindoleMLS002638448F1918-0028

데이터베이스 식별자

CAS: 948-65-2
PubChem CID: 13698
DTXSID: DTXSID8061343
ChEMBL: CHEMBL75756
ChEBI: CHEBI:113541
UNII: MQD44HV3P1
EC Number: 213-436-3
Nikkaji: J36.864D

물성

구조 계산 물성

XLogP: 3.8
극성 표면적: 15.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 0
회전 가능 결합 수: 1
무거운 원자 수: 15
형식 전하: 0
복잡도: 207

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Indoles

SpringerMaterials PropertiesLuminescence

Solubility0.7 [ug/mL] (The mean of the results at pH 7.4)

Physical DescriptionPowder; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 188 · 188-190 °C (lit.)
끓는 점: 250 °C/10 · 250 °C/10 mmHg (lit.)
밀도: 1.1061 · 1.1061 (rough estimate)
굴절률: 1.585 · 1.5850 (estimate)
인화점: 250 °C/10mm · 250°C/10mm
저장 조건: Sealed in dry,Room Temperature
용해도: almost transparency in Methanol
물리적 상태: 가루
산도 계수 (pKa): 16.8 · 16.80±0.30(Predicted)
색상: 미색~베이지색 또는 약간 녹색
InChI: 1S/C14H11N/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14/h1-10,15H
InChIKey: KLLLJCACIRKBDT-UHFFFAOYSA-N
SMILES: c1ccc(cc1)-c2cc3ccccc3[nH]2
NIST: 1 H-Indole, · 1H-Indole, 2-phenyl-(948-65-2)
EPA: 1 H-Indole, · 1H-Indole, 2-phenyl- (948-65-2)

화학적 성질

off-white to beige or slightly green powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 2.2% (1 of 45) of reports.

Danger

H315 (93.3%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationChemical: 1H-Indole, 2-phenyl-

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See 3-Methylindole.

Hazard Classes and CategoriesSkin Irrit. 2 (93.3%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: NM1272500
HS 번호: 29309090
risk_code: 37/38-41
hazard_code: Xi
safety_code: 26-39
Hazard Classifications: Eye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

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

응용 분야 · 1건

용도Reactant for preparation of: • ;Oxopyrrolidine analogs via iodine-catalyzed Markovnikov addition1• ;Tryptophan dioxygenase inhibitors pyridyl-ethenyl-indoles as potential anticancer immunomodulators2• ;Organic light emitting diodes (OLEDs)3• ;Anti inflammatory agents4• ;Potential cyclooxygenase-1 (COX-1)/cyclooxygenase-2 (COX-2) inhibitors5• ;Agents for cancer and malaria therapy6• ;Antifungal and antibacterial agents7• ;Fluorescent probes8Reactant in:• ;Difluorohydroxylation reactions†• ;Mannich-type reactions†

제조 방법 · 1건

2-phenylindole is prepared by condensing phenylhydrazine and acetophenone, and then closing the ring in the presence of zinc chloride. or it can be prepared by heating bromoacetophenone with excess aniline, or heating N-(2-methylphenyl)benzamide and sodium ethoxide at 360-380℃ in isolation from air.

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

河北创海生物科技有限公司+86-86-13131129325 · [email protected]

河北展药生物科技有限公司15369953316 +8615369953316 · [email protected]

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