1-ベンジルピロール

1H-Pyrrole, 1-(phenylmethyl)-

HCID 74922CAS 2051-97-0
部分構造検索類似構造を探す

基本情報

標準SMILES
c1ccc(Cn2cccc2)cc1
InChIKey
FNEQHKCQXDKYEO-UHFFFAOYSA-N
分子式
C11H11N
平均分子量
157.21 g/mol
単同位体質量
157.08914936

名称と識別子

優先名称
1H-Pyrrole, 1-(phenylmethyl)-
IUPAC
1-benzylpyrrole
現地名
1-ベンジルピロール
英語名
1-BENZYLPYRROLE
分子式
C11H11N
分子量
157.21

名称と別名

1-BenzylpyrroleN-Benzylpyrrole1H-Pyrrole, 1-(phenylmethyl)-Pyrrole, 1-benzyl-NSC 4024EINECS 218-137-1NSC 116806DTXSID3062150RefChem:439162Pyrrole, 1-benzyl-(8CI)DTXCID6036330218-137-1
名称をさらに表示
1-ベンジルピロール1-ベンジル-1H-ピロール1-Benzylpyrrole >N-Benzylpyrrole, 97%1-(phenylmethyl)pyrrole1-(phenylmethyl)-1h-pyrrol
2051-97-01-Benzyl-1H-pyrroleMFCD00963301NSC-4024NSC-1168061-benzylpyrrolFK5VAY3WJPN-Benzylpyrrole, 97%

データベース識別子

CAS
2051-97-0
PubChem CID
74922
DTXSID
DTXSID3062150
ChEMBL
CHEMBL259946
UNII
FK5VAY3WJP
EC Number
218-137-1
Nikkaji
J94.944B

物性

構造計算による物性

XLogP
2.7
極性表面積
4.9 Ų
水素結合供与体数
0
水素結合受容体数
0
回転可能結合数
2
重原子数
12

物理化学的性質

融点
15 °C · 15 °C
沸点
90 °C0.9 · 90 °C0.9 mm Hg(lit.)
比重(密度)
1.03 · 1.03
屈折率
20 · n20/D 1.5685(lit.)
闪点
115 °F · 115 °F
外見
液体

化学的性質

化学的特性White transparent liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.5%): 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.

危険有害性情報

Regulatory InformationChemical: 1H-Pyrrole, 1-(phenylmethyl)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)；Eye Irrit. 2 (97.5%)；STOT SE 3 (97.5%)

法規制情報

Regulatory InformationChemical: 1H-Pyrrole, 1-(phenylmethyl)-

安全データ

wgk
3
tsca
TSCA listed
ridadr
UN 1993 3/PG 3
hs_code
2933998090
risk_code
10-36/37/38
消防法
危-4-2-III

化学と産業

用途と製造

General Manufacturing Information1H-Pyrrole, 1-(phenylmethyl)-: INACTIVE
応用分野 · 2 件

使用N-benzylpyrrole may be used in the synthesis of the following:(E,Z)-3-(7,8-dimethoxy-5H-pyrrolo[2,1-a]isoindol-3-yl)-N,N-diethylacrylamide(E,Z)-7,8-dimethoxy-3-styryl-5H-pyrrolo[2,1-a]isoindolepyrroloisoquinolines(Z)-2-(7,8-dimethoxypyrrolo[1,2-b]isoquinolin-10-ylidene)-N,N-diethylacetamide(E,Z)-10-benzylidene-7,8-dimethoxy-5,10-dihydropyrrolo- [1,2-b]isoquinoline(E,Z)-7,8-dimethoxy-10-(2-methoxyvinyl)-5,10-dihydropyrrolo[1,2-b]isoquinoline(Z)-7,8-dimethoxy-10-(methoxymethylene)-5,10-dihydropyrrolo[1,2-b]isoquinoline2-cyano-N-benzylpyrroles3-cyano-N-benzylpyrroles

一般的な説明N-benzylpyrrole can be synthesized from N-benzylpyrrolidine via oxidation with 2-iodoxybenzoic acid(IBX) in presence of β-cyclodextrin in aqueous medium.

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]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

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