4-(클로로메틸)-5-메틸-2-페닐-1,3-옥사졸

4-(Chloromethyl)-5-methyl-2-phenyl-1,3-oxazole

HCID 9794289CAS 103788-61-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1oc(-c2ccccc2)nc1CCl
InChIKey: VCTKYTBWZTZPHF-UHFFFAOYSA-N
분자식: C11H10ClNO
평균 분자량: 207.65 g/mol
단동위원소 질량: 207.04509162

이름 및 식별자

우선 이름: 4-(Chloromethyl)-5-methyl-2-phenyl-1,3-oxazole
IUPAC: 4-(chloromethyl)-5-methyl-2-phenyl-1,3-oxazole
현지명: 4-(클로로메틸)-5-메틸-2-페닐-1,3-옥사졸
영어명: 4-(Chloromethyl)-5-methyl-2-phenyl-1,3-oxazole
분자식: C11H10ClNO
분자량: 207.66

이름 및 동의어

103788-61-04-(chloromethyl)-5-methyl-2-phenyl-1,3-oxazoleDTXSID70430779RefChem:97401DTXCID30381612825-524-44-(chloromethyl)-5-methyl-2-phenyloxazole4-chloromethyl-5-methyl-2-phenyl-oxazoleMFCD008009404-chloromethyl-5-methyl-2-phenyloxazole5-Methyl-2-phenyl-4-(chloromethyl)oxazole; [5-Methyl-2-phenyloxazol-4-yl]methyl Chloride; 4-(Chloromethyl)-5-methyl-2-phenyloxazole; 4-(Chloromethyl)-5-methyl-2-phenyl-1,3-oxazole; 4-Chloromethyl-2-phenyl-5-methyloxazoleChloromethyl-5-methyl-2-phenyloxazole

이름 더 보기

4-(클로로메틸)-5-메틸-2-페닐-1,3-옥사졸4-Chloromethyl-2-phenyl-5-methyloxazole5-Methyl-2-phenyl-4-(chloromethyl)oxazoleOxazole, 4-(chloromethyl)-5-methyl-2-phenyl-[5-Methyl-2-phenyloxazol-4-yl]methyl chloride(5-methyl-2-phenyl-4-oxazolyl)methyl chloride

2-phenyl-4-(chloromethyl)-5-methyloxazoleSCHEMBL503999CHEMBL5173270VCTKYTBWZTZPHF-UHFFFAOYSA-NDEA78861SBB093933AKOS001289751BS-9833

데이터베이스 식별자

CAS: 103788-61-0
PubChem CID: 9794289
DTXSID: DTXSID70430779
ChEMBL: CHEMBL5173270
EC Number: 825-524-4
Nikkaji: J1.981.227H

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 26 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 182

물리화학적 성질

녹는점: 83 °C · 83 °C
끓는 점: 0 °C · 0°C
밀도: 1.188 · 1.188
인화점: 0 °C · 0°C
저장 조건: 2 · 2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): -0.12 · -0.12±0.26(Predicted)
색상: 흰색에서 황백색까지

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.