7-벤질옥시-4-클로로-6-메톡시퀴나졸린

7-(Benzyloxy)-4-chloro-6-methoxyquinazoline

HCID 10661998

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 162364-72-9
표준 SMILES: COc1cc2c(Cl)ncnc2cc1OCc1ccccc1
InChIKey: LBGIYCBNJBHZSZ-UHFFFAOYSA-N
분자식: C16H13ClN2O2
평균 분자량: 300.74 g/mol
단동위원소 질량: 300.06655534

이름 및 식별자

우선 이름: 7-(Benzyloxy)-4-chloro-6-methoxyquinazoline
IUPAC: 4-chloro-6-methoxy-7-phenylmethoxyquinazoline
현지명: 7-벤질옥시-4-클로로-6-메톡시퀴나졸린
영어명: 7-Benzyloxy-4-chloro-6-methoxyquinazoline
분자식: C16H13ClN2O2
분자량: 300.74

이름 및 동의어

162364-72-97-(benzyloxy)-4-chloro-6-methoxyquinazolineDTXSID50443221RefChem:310141DTXCID50394042810-462-27-Benzyloxy-4-chloro-6-methoxyquinazoline7-BENZYLOXY-4-CHLORO-6-METHOXY-QUINAZOLINEMFCD04115120QUINAZOLINE, 4-CHLORO-6-METHOXY-7-(PHENYLMETHOXY)-4-Chloro-6-methoxy-7-benzyloxyquinazoline4-chloro-6-methoxy-7-phenylmethoxyquinazoline

이름 더 보기

7-벤질옥시-4-클로로-6-메톡시퀴나졸린7-Benzyloxy-4-chloro-6-methoxyquinazoli7-Benzyloxy-4-chloro-6-methoxy-quizoline4-chloro-7-benzyloxy -6-Methoxyquinazoline7-(Benzyloxy)-4-chloro-6-methoxyquinazoline 98%Quinazoline,4-chloro-6-methoxy-7-(phenylmethoxy)-,98%

4-chloro-6-methoxy-7-(phenylmethoxy)quinazoline4-chloro-6-methoxy-7-SCHEMBL297514SCHEMBL29631520CS-B0926SBB066214AKOS005255349PB14384

데이터베이스 식별자

CAS: 162364-72-9
PubChem CID: 10661998
DTXSID: DTXSID50443221
EC Number: 810-462-2

물성

구조 계산 물성

XLogP: 3.9
극성 표면적: 44.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 21
형식 전하: 0
복잡도: 325

물리화학적 성질

끓는 점: 452.1 · 452.1±40.0 °C(Predicted)
밀도: 1.303 · 1.303±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 0.72 · 0.72±0.30(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.