1-(2-아미노페닐)피롤

2-(1H-pyrrol-1-yl)aniline

HCID 80123CAS 6025-60-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Nc1ccccc1-n1cccc1
InChIKey: GDMZHPUPLWQIBD-UHFFFAOYSA-N
분자식: C10H10N2
평균 분자량: 158.2 g/mol
단동위원소 질량: 158.08439832

이름 및 식별자

우선 이름: 2-(1H-pyrrol-1-yl)aniline
IUPAC: 2-pyrrol-1-ylaniline
현지명: 1-(2-아미노페닐)피롤
영어명: 1-(2-Aminophenyl)pyrrole
분자식: C10H10N2
분자량: 158.2

이름 및 동의어

2-(1H-Pyrrol-1-yl)anilineEINECS 227-884-2DTXSID90208997NSC 130753RefChem:451528DTXCID40131488227-884-26025-60-11-(2-Aminophenyl)pyrrole2-pyrrol-1-ylaniline[2-(1H-pyrrol-1-yl)phenyl]amineN-(2-Aminophenyl)pyrrole

이름 더 보기

1-(2-아미노페닐)피롤(2-pyrrol-1-ylphenyl)amine1-(o-Aminophenyl)-1H-pyrrole2-(1H-Pyrrol-1-yl)benzenamine1-(2-AMINOPHENYL)PYRROLE, 98+%

MFCD000053441-(2-Aminophenyl)-1H-pyrroleBenzenamine, 2-(1H-pyrrol-1-yl)-2-(1-pyrrolyl)anilineNSC130753NSC-1307531-(2'-Aminophenyl)pyrroleMLS000833745

데이터베이스 식별자

CAS: 6025-60-1
PubChem CID: 80123
DTXSID: DTXSID90208997
ChEMBL: CHEMBL1463101
UNII: K5T4GB3PMR
EC Number: 227-884-2
Nikkaji: J223.956F

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 31 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 141

실험 및 물리화학적 성질

Solubility14.5 [ug/mL] (The mean of the results at pH 7.4)

물리화학적 성질

녹는점: 96 · 96-98 °C(lit.)
끓는 점: 273.29 °C · 273.29°C (rough estimate)
밀도: 1.1192 · 1.1192 (rough estimate)
굴절률: 1.6392 · 1.6392 (estimate)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: solid
산도 계수 (pKa): 2.09 · 2.09±0.10(Predicted)
수용성: 물에 불용성.
BRN: 1307631 · 1307631
InChI: 1S/C10H10N2/c11-9-5-1-2-6-10(9)12-7-3-4-8-12/h1-8H,11H2
InChIKey: GDMZHPUPLWQIBD-UHFFFAOYSA-N
SMILES: Nc1ccccc1-n2cccc2

화학적 성질

LIGHT BEIGE TO BROWN CRYSTAL. POWDER AND NEEDLES

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+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 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.8%)

안전 데이터

wgk: 3
HS 번호: 29339980
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 26-36
포장분류: III
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도1-(2-Aminophenyl)pyrrole is used in the synthesis of 4-substituted pyrrolo[1,2-a]quinoxaline derivatives. It participates in Pt(IV)-catalyzed hydroamination triggered cyclization reaction to yield fused pyrrolo [1,2-a] quinoxalines. It is also used as primary and secondary intermediates. They act as antileishmanial agents.

일반 설명1-(2-Aminophenyl)pyrrole participates in Pt(IV)-catalyzed hydroamination triggered cyclization reaction to yield fused pyrrolo [1,2-a] quinoxalines. It reacts with aromatic or heteroaromatic aldehydes in ethanol and catalytic amounts of acetic acid to yield 4,5-dihydropyrrolo[1,2-a]quinoxalines. Thin films of poly(1-(2-aminophenyl)pyrrole) has been prepared via oxidative electropolymerization.