1-벤질피롤

1H-Pyrrole, 1-(phenylmethyl)-

HCID 74922CAS 2051-97-0
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
c1ccc(Cn2cccc2)cc1
InChIKey
FNEQHKCQXDKYEO-UHFFFAOYSA-N
분자식
C11H11N
평균 분자량
157.21 g/mol
단동위원소 질량
157.08914936

이름 및 식별자

우선 이름
1H-Pyrrole, 1-(phenylmethyl)-
IUPAC
1-benzylpyrrole
현지명
1-벤질피롤
영어명
1-BENZYLPYRROLE
분자식
C11H11N
분자량
157.21

이름 및 동의어

1-BenzylpyrroleN-Benzylpyrrole1H-Pyrrole, 1-(phenylmethyl)-Pyrrole, 1-benzyl-NSC 4024EINECS 218-137-1NSC 116806DTXSID3062150RefChem:439162Pyrrole, 1-benzyl-(8CI)DTXCID6036330218-137-1
이름 더 보기
1-벤질피롤1-Benzylpyrrole >N-Benzylpyrrole, 97%1-(phenylmethyl)pyrrole1-(phenylmethyl)-1h-pyrrol
2051-97-01-Benzyl-1H-pyrroleMFCD00963301NSC-4024NSC-1168061-benzylpyrrolFK5VAY3WJPN-Benzylpyrrole, 97%

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
2.7
극성 표면적
4.9 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
2
무거운 원자 수
12

물리화학적 성질

녹는점
15 °C · 15 °C
끓는 점
90 °C0.9 · 90 °C0.9 mm Hg(lit.)
밀도
1.03 · 1.03
굴절률
20 · n20/D 1.5685(lit.)
인화점
115 °F · 115 °F
물리적 상태
액체

화학적 성질

White transparent liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

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%)

규제 정보

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

안전 데이터

wgk
3
tsca
TSCA listed
ridadr
UN 1993 3/PG 3
HS 번호
2933998090
risk_code
10-36/37/38
hazard_code
Xi

화학 및 산업

용도 및 제조

General Manufacturing Information1H-Pyrrole, 1-(phenylmethyl)-: INACTIVE
응용 분야 · 2건

용도N-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

일반 설명N-benzylpyrrole can be synthesized from N-benzylpyrrolidine via oxidation with 2-iodoxybenzoic acid(IBX) in presence of β-cyclodextrin in aqueous medium.

상·하류 제품 정보

공급사50 곳

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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