2-フェニルインドール

2-Phenylindole

HCID 13698CAS 948-65-2
部分構造検索類似構造を探す

基本情報

標準SMILES
c1ccc(-c2cc3ccccc3[nH]2)cc1
InChIKey
KLLLJCACIRKBDT-UHFFFAOYSA-N
分子式
C14H11N
平均分子量
193.24 g/mol
単同位体質量
193.08914935

概要

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

名称と識別子

優先名称
2-Phenylindole
IUPAC
2-phenyl-1H-indole
現地名
2-フェニルインドール
英語名
2-Phenylindole
分子式
C14H11N
分子量
193.24

名称と別名

2-Phenylindole2-PHENYL-1H-INDOLE948-65-21H-Indole, 2-phenyl-Indole, 2-phenyl-Stabilizer Ialpha-PhenylindoleMQD44HV3P1NSC-15776DTXSID80613431H-Indole, 2-phenylRefChem:89089
名称をさらに表示
2-フェニルインドール2-フェニル-1H-インドール2-フェニルインドル2フェニルインド-ル２フェニルインドル2‐フェニルインドール1H-Indole,2-phenyl-NSC 15776stabilizeri-PhenylindoleA-PHENYLINDOLa-Phenylindole2-phenyl-indol
DTXCID3048940213-436-32-PHENYL INDOLEMFCD00005608.alpha.-PhenylindolePhenylindoleMLS002638448F1918-0028

データベース識別子

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

物性

構造計算による物性

XLogP
3.8
極性表面積
15.8 Ų
水素結合供与体数
1
水素結合受容体数
0
回転可能結合数
1
重原子数
15

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Indoles
SpringerMaterials PropertiesLuminescence
Solubility0.7 [ug/mL] (The mean of the results at pH 7.4)
Physical DescriptionPowder; [Alfa Aesar MSDS]

物理化学的性質

融点
188 · 188-190 °C (lit.)
沸点
250 °C/10 · 250 °C/10 mmHg (lit.)
比重(密度)
1.1061 · 1.1061 (rough estimate)
屈折率
1.585 · 1.5850 (estimate)
闪点
250 °C/10mm · 250°C/10mm
貯蔵温度
Sealed in dry,Room Temperature

化学的性質

化学的特性off-white to beige or slightly green powder

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory InformationChemical: 1H-Indole, 2-phenyl-
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See 3-Methylindole.
Hazard Classes and CategoriesSkin Irrit. 2 (93.3%)

安全データ

wgk
3
tsca
TSCA listed
rtecs
NM1272500
hs_code
29309090
risk_code
37/38-41
化審法
(5)-137

化学と産業

用途と製造

General Manufacturing Information1H-Indole, 2-phenyl-: ACTIVE
応用分野 · 1 件

使用Reactant 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†

調製方法 · 1 件

製造方法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.

上流・下流製品情報

サプライヤー50 社

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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