1-페닐피롤

1-Phenylpyrrole

HCID 12480CAS 635-90-5

기본 정보

표준 SMILES: c1ccc(-n2cccc2)cc1
InChIKey: GEZGAZKEOUKLBR-UHFFFAOYSA-N
분자식: C10H9N
평균 분자량: 143.18 g/mol
단동위원소 질량: 143.07349929

개요

1-phenylpyrrole is a member of the class of pyrroles that is 1H-pyrrole substituted by a phenyl group at position 1. It is a member of benzenes and a member of pyrroles.

이름 및 식별자

우선 이름: 1-Phenylpyrrole
IUPAC: 1-phenylpyrrole
현지명: 1-페닐피롤
영어명: 1-PHENYLPYRROLE
분자식: C10H9N
분자량: 143.19

이름 및 동의어

1-Phenylpyrrole635-90-5N-Phenylpyrrole3OD6N6545HNSC-16581DTXSID60212905RefChem:77010DTXCID50135396211-242-31-PHENYL-1H-PYRROLEPyrrole, 1-phenyl-1H-Pyrrole, 1-phenyl-

이름 더 보기

1-페닐피롤N-Pyrrolobenzene1-phenylpyridinephenyl-1H-pyrrole1-Phenylpyrrole>1-Phenylpyrrole 99%

MFCD000053431-Phenylpyrrole, 99%NSC 16581CHEMBL84459AI3-11735NSC16581BDBM50028961AKOS000285836

데이터베이스 식별자

CAS: 635-90-5
PubChem CID: 12480
DTXSID: DTXSID60212905
ChEMBL: CHEMBL84459
ChEBI: CHEBI:234092
UNII: 3OD6N6545H
EC Number: 211-242-3
Nikkaji: J101.281I

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 4.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 110

물리화학적 성질

녹는점: 58 · 58-60 °C (lit.)
끓는 점: 234 °C · 234 °C (lit.)
밀도: 0.97 · 0.97
굴절률: 1.5 · 1.5000 (estimate)
인화점: 95 ℃ · 95℃
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): -5.3 · -5.30±0.30(Predicted)
색상: 흰색에서 노란색, 주황색으로
BRN: 109798 · 109798
InChI: 1S/C10H9N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h1-9H
InChIKey: GEZGAZKEOUKLBR-UHFFFAOYSA-N
SMILES: c1ccc(cc1)-n2cccc2

화학적 성질

light beige to brown crystalline powder and lumps

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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationChemical: 1H-Pyrrole, 1-phenyl-

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29339980
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
기존화학 물질: KE-28440
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도1-Phenylpyrrole was used to study the half-wave potentials of the aqueous redox couples and the oxidation potentials of the monomers in 1,2-dichloroethane.

일반 설명1-Phenylpyrrole inhibited cytochrome P-450 dependant monooxygenase activity in microsomes from rat liver.

상·하류 제품 정보

상류 원료

공급사50 곳

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