3-클로로메틸-5-[3-(트리플루오로메틸)페닐]-1,2,4-옥사디아졸

3-(Chloromethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

HCID 2736622CAS 175205-63-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: FC(F)(F)c1cccc(-c2nc(CCl)no2)c1
InChIKey: INANILNLXTUPHD-UHFFFAOYSA-N
분자식: C10H6ClF3N2O
평균 분자량: 262.61 g/mol
단동위원소 질량: 262.01207515

이름 및 식별자

우선 이름: 3-(Chloromethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
IUPAC: 3-(chloromethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
현지명: 3-클로로메틸-5-[3-(트리플루오로메틸)페닐]-1,2,4-옥사디아졸
영어명: 3-Chloromethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
분자식: C10H6ClF3N2O
분자량: 262.62

이름 및 동의어

175205-63-73-(chloromethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole3-(chloromethyl)-5-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole3-chloromethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazoleMFCD000849691,2,4-Oxadiazole, 3-(chloromethyl)-5-[3-(trifluoromethyl)phenyl]-3-chloromethyl-5-(3-trifluoromethyl-phenyl)-[1,2,4]oxadiazoleSCHEMBL1544643DTXSID203714863-chloromethyl-5-(3-trifluoromethylphenyl)-[1,2,4]oxadiazoleSBB005579AKOS009159199

이름 더 보기

3-클로로메틸-5-[3-(트리플루오로메틸)페닐]-1,2,4-옥사디아졸BUTTPARK 48\08-26TIMTEC-BB SBB0055793-(Chloromethyl)-5-[3-(trifluoromethyl)phenyl]-3-Chloromethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol...3-(Chloromethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole95+%

AS-31430DB-004923ST510416015-[3(trifluoromethyl)phenyl]-3-(chloromethyl)-1,2,4-oxadiazole5-[3-(trifluoromethyl)phenyl]-3-(chloromethyl)-1,2,4-oxadiazole3-(Chloromethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole, AldrichCPR

데이터베이스 식별자

CAS: 175205-63-7
PubChem CID: 2736622
DTXSID: DTXSID20371486
EC Number: 672-008-8

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 38.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 2
무거운 원자 수: 17
형식 전하: 0
복잡도: 264

물리화학적 성질

녹는점: 25 · 25-27°C
끓는 점: 322.5 · 322.5±52.0 °C(Predicted)
밀도: 1.418 · 1.418±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): -3.1 · -3.10±0.44(Predicted)

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)

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