2-페닐이미다졸

2-Phenylimidazole

HCID 69591CAS 670-96-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: c1ccc(-c2ncc[nH]2)cc1
InChIKey: ZCUJYXPAKHMBAZ-UHFFFAOYSA-N
분자식: C9H8N2
평균 분자량: 144.17 g/mol
단동위원소 질량: 144.06874826

이름 및 식별자

우선 이름: 2-Phenylimidazole
IUPAC: 2-phenyl-1H-imidazole
현지명: 2-페닐이미다졸
영어명: 2-Phenylimidazole
분자식: C9H8N2
분자량: 144.17

이름 및 동의어

2-Phenylimidazole2-Phenyl-1H-imidazole670-96-21H-Imidazole, 2-phenyl-Imidazole, 2-phenyl-CUREZOL 2PZ7R2590HM4LNSC-255226DTXSID7060968RefChem:89086DTXCID6044856211-581-7

이름 더 보기

2-페닐이미다졸2PZ2PI2-Phenylimidzole2-Phenylimidazol2-Pheny1 imidazoleTIMTEC-BB SBB004131

MFCD00005186CHEMBL141892-phenyl-1h-imidazol2-Phenyl imidazolephenyl imidazole2-phenyl-imidazolePIY2-Phenylimidazole, 98%

데이터베이스 식별자

CAS: 670-96-2
PubChem CID: 69591
DTXSID: DTXSID7060968
ChEMBL: CHEMBL14189
UNII: 7R2590HM4L
EC Number: 211-581-7
Nikkaji: J68.948C

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 28.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 119

물리화학적 성질

녹는점: 142 · 142-148 °C (lit.)
끓는 점: 340 °C · 340 °C
밀도: 0.6 g/cm3 · 0.6 g/cm3
증기압: 0.009 Pa · 0.009Pa at 20℃
굴절률: 1.6025 · 1.6025 (estimate)
인화점: 200 °C · 200 °C
저장 조건: Sealed in dry,Room Temperature
용해도: 메탄올에 대한 용해도(거의 투명함).
물리적 상태: 분말, 입상 또는 결정성 분말
산도 계수 (pKa): 13 · 13.00±0.10(Predicted)
색상: 밝은 노란색에서 베이지색까지
BRN: 114011 · 114011
InChI: 1S/C9H8N2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-7H,(H,10,11)
InChIKey: ZCUJYXPAKHMBAZ-UHFFFAOYSA-N
SMILES: c1ccc(cc1)-c2ncc[nH]2
LogP: 1.29 at · 1.29 at 25℃ and pH7.5
EPA: 1 H-Imidazole, · 1H-Imidazole, 2-phenyl- (670-96-2)

화학적 성질

colorless to beige chunks or granular powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 2.2% (5 of 227) of reports.

Warning

H302 (70.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 227 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 1H-Imidazole, 2-phenyl-

Status: Active Update: 08-04-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/23313

2-Phenylimidazole: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (70.9%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29332990
risk_code: 36/37/38-21/22
hazard_code: Xi,Xn
safety_code: 26-36-36/37
기존화학 물질: KE-28384
위험 참고 사항: Harmful
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing Information1H-Imidazole, 2-phenyl-: ACTIVE

응용 분야 · 1건

용도2-Phenylimidazole (2-PI) is used to prepare complex compounds with ruthenium (III) and also as an intermediate for agrochemical, pharmaceutical and specialty products. It also finds its application as a curing agent for epoxy resins and polyurethane.