4-클로로-2-페닐퀴나졸린

4-Chloro-2-phenylquinazoline

HCID 80977

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 6484-25-9
표준 SMILES: Clc1nc(-c2ccccc2)nc2ccccc12
InChIKey: OBHKONRNYCDRKM-UHFFFAOYSA-N
분자식: C14H9ClN2
평균 분자량: 240.69 g/mol
단동위원소 질량: 240.04542597

이름 및 식별자

우선 이름: 4-Chloro-2-phenylquinazoline
IUPAC: 4-chloro-2-phenylquinazoline
현지명: 4-클로로-2-페닐퀴나졸린
영어명: 4-Chloro-2-phenylquinazoline
분자식: C14H9ClN2
분자량: 240.69

이름 및 동의어

4-Chloro-2-phenylquinazoline6484-25-9Am-ex-olEINECS 229-346-2OBHKONRNYCDRKM-UHFFFAOYSA-DTXSID00215132NSC 400965RefChem:98401DTXCID00137623229-346-2InChI=1/C14H9ClN2/c15-13-11-8-4-5-9-12(11)16-14(17-13)10-6-2-1-3-7-10/h1-9HOBHKONRNYCDRKM-UHFFFAOYSA-N

이름 더 보기

4-클로로-2-페닐퀴나졸린AKOS 93518AM-EX-OL(R)am-ex-ol tmAM-ex-OL®4-Chloro-2-phenyl-quizoline

Quinazoline, 4-chloro-2-phenyl-4-chloro-2-phenyl-quinazoline2-PHENYL-4-CHLOROQUINAZOLINEMFCD00006713NSC-400965NSC400965phenyl-4-chloroquinazoline2-phenyl 4-chloroquinazoline

데이터베이스 식별자

CAS: 6484-25-9
PubChem CID: 80977
DTXSID: DTXSID00215132
UNII: 2QRD56Y64F
EC Number: 229-346-2
Nikkaji: J236D

물성

구조 계산 물성

XLogP: 4.5
극성 표면적: 25.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 17
형식 전하: 0
복잡도: 253

실험 및 물리화학적 성질

LogP4.47

물리화학적 성질

녹는점: 124 · 124-126 °C(lit.)
끓는 점: 383.11 °C · 383.11°C (rough estimate)
밀도: 1.285 · 1.285
굴절률: 1.5749 · 1.5749 (estimate)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태: 결정성 분말
산도 계수 (pKa): 0.67 · 0.67±0.30(Predicted)
색상: 약간 노란색~노란색
InChI: 1S/C14H9ClN2/c15-13-11-8-4-5-9-12(11)16-14(17-13)10-6-2-1-3-7-10/h1-9H
InChIKey: OBHKONRNYCDRKM-UHFFFAOYSA-N
SMILES: Clc1nc(nc2ccccc12)-c3ccccc3

화학적 성질

slightly yellow to yellow crystalline powder

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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationQuinazoline, 4-chloro-2-phenyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29339980
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도4-Chloro-2-phenylquinazoline can be involved in the synthesis of biologically active molecules including: Nitrotriazole amines or nitroimidazole amines for use as antitrypanosomal activity and mammalian cytotoxicity.