4,6-디클로로-5-(2-메톡시페녹시)-2,2'-비피리미딘

4,6-Dichloro-5-(2-methoxyphenoxy)-2,2'-bipyrimidine

HCID 10545706

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 150728-13-5
표준 SMILES: COc1ccccc1Oc1c(Cl)nc(-c2ncccn2)nc1Cl
InChIKey: IZGOBGVYADHVKH-UHFFFAOYSA-N
분자식: C15H10Cl2N4O2
평균 분자량: 349.2 g/mol
단동위원소 질량: 348.01808092

이름 및 식별자

우선 이름: 4,6-Dichloro-5-(2-methoxyphenoxy)-2,2'-bipyrimidine
IUPAC: 4,6-dichloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine
현지명: 4,6-디클로로-5-(2-메톡시페녹시)-2,2'-비피리미딘
영어명: 4,6-Dichloro-5-(2-methoxyphenoxy)-2,2'-bipyrimidine
분자식: C15H10Cl2N4O2
분자량: 349.17

이름 및 동의어

150728-13-54,6-Dichloro-5-(2-methoxyphenoxy)-2,2'-bipyrimidine2,2'-bipyrimidine, 4,6-dichloro-5-(2-methoxyphenoxy)-SLW8S7AP2HDTXSID40441594RefChem:96626DTXCID80392415604-750-54,6-dichloro-5-(2-methoxyphenoxy)-2,2-bipyrimidineMFCD038398384,6-dichloro-5-(2-methoxy-phenoxy)-[2,2']bipyrimidinyl4,6-dichloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine

이름 더 보기

4,6-디클로로-5-(2-메톡시페녹시)-2,2'-비피리미딘4,6-DichBOSENTAN INTERMEDIATESBosentan interMediate (I)Bosentan Related Compound 1Bosentan Related CoMpound DIntermediate of Bosentan (I)Bosentan USP Related Compound D2,2'-Bipyrimidine,4,6-dichloro-5-(2-methoxyphenox

CS-B0151AKOS015851303Bosentan USP RC DSB579544,6-Dichloro-5-(2-methoxyphenoxy)-2,2'-dipyrimidine2,2'-bipyrimidine,4,6-dichloro-5-(2-methoxyphenoxy)-C15H10Cl2N4O2IZGOBGVYADHVKH-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 150728-13-5
PubChem CID: 10545706
DTXSID: DTXSID40441594
UNII: SLW8S7AP2H
EC Number: 604-750-5
Nikkaji: J1.517.001H

물성

구조 계산 물성

XLogP: 3.6
극성 표면적: 70 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 4
무거운 원자 수: 23
형식 전하: 0
복잡도: 361

물리화학적 성질

녹는점: 157 to · 157.0 to 161.0 °C
끓는 점: 520.7 · 520.7±60.0 °C(Predicted)
밀도: 1.418 · 1.418±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): -3.58 · -3.58±0.33(Predicted)
물리적 상태: 고체
색상: 흰색에서 밝은 갈색까지
주요 응용: 의약품(소분자)
InChI: InChI=1S/C15H10Cl2N4O2/c1-22-9-5-2-3-6-10(9)23-11-12(16)20-15(21-13(11)17)14-18-7-4-8-19-14/h2-8H,1H3
InChIKey: IZGOBGVYADHVKH-UHFFFAOYSA-N
SMILES: C1(C2=NC=CC=N2)=NC(Cl)=C(OC2=CC=CC=C2OC)C(Cl)=N1

화학적 성질

Brown solid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 12.5% (1 of 8) of reports.

Danger

H314 (12.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.