4-클로로메틸-2-(4-클로로-페닐)-5-메틸-옥사졸

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

HCID 3613658

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 832076-92-3
표준 SMILES: Cc1oc(-c2ccc(Cl)cc2)nc1CCl
InChIKey: UZZOBOWGDDNXRM-UHFFFAOYSA-N
분자식: C11H9Cl2NO
평균 분자량: 242.1 g/mol
단동위원소 질량: 241.00611927

이름 및 식별자

우선 이름: 4-(Chloromethyl)-2-(4-chlorophenyl)-5-methyl-1,3-oxazole
IUPAC: 4-(chloromethyl)-2-(4-chlorophenyl)-5-methyl-1,3-oxazole
현지명: 4-클로로메틸-2-(4-클로로-페닐)-5-메틸-옥사졸
영어명: 4-Chloromethyl-2-(4-chloro-phenyl)-5-methyl-oxazole
분자식: C11H9Cl2NO
분자량: 242.1

이름 및 동의어

4-(chloromethyl)-2-(4-chlorophenyl)-5-methyl-1,3-oxazoleRefChem:515553849-940-0832076-92-34-(Chloromethyl)-2-(4-chlorophenyl)-5-methyloxazoleMFCD08457263Oxazole, 4-(chloromethyl)-2-(4-chlorophenyl)-5-methyl-4-chloromethyl-2-(4-chloro-phenyl)-5-methyl-oxazoleSCHEMBL924162CHEMBL5188134DTXSID30394222UZZOBOWGDDNXRM-UHFFFAOYSA-N

이름 더 보기

4-클로로메틸-2-(4-클로로-페닐)-5-메틸-옥사졸4-(Chloromethyl)-2-(4-chlorophenyl)-5-

ALBB-021430AKOS005255707DB-075906EU-0029345EN300-64954764-(chloromethyl)-2-(4-chlorophenyl)-5-methyl-oxazole

데이터베이스 식별자

CAS: 832076-92-3
PubChem CID: 3613658
DTXSID: DTXSID30394222
ChEMBL: CHEMBL5188134
EC Number: 849-940-0
Nikkaji: J2.110.275J

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 26 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 207

물리화학적 성질

녹는점: 90 · 90-92 °C
끓는 점: 365.2 · 365.2±52.0 °C(Predicted)
밀도: 1.297 · 1.297±0.06 g/cm3(Predicted)
산도 계수 (pKa): -0.86 · -0.86±0.26(Predicted)

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.