2-클로로메틸-5-페닐-[1,3,4]옥사디아졸

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

HCID 314941CAS 33575-83-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: ClCc1nnc(-c2ccccc2)o1
InChIKey: AGLNTFQAHIRTFA-UHFFFAOYSA-N
분자식: C9H7ClN2O
평균 분자량: 194.62 g/mol
단동위원소 질량: 194.02469052

이름 및 식별자

우선 이름: 2-(Chloromethyl)-5-phenyl-1,3,4-oxadiazole
IUPAC: 2-(chloromethyl)-5-phenyl-1,3,4-oxadiazole
현지명: 2-클로로메틸-5-페닐-[1,3,4]옥사디아졸
영어명: 2-CHLOROMETHYL-5-PHENYL-[1,3,4]OXADIAZOLE
분자식: C9H7ClN2O
분자량: 194.62

이름 및 동의어

2-(chloromethyl)-5-phenyl-1,3,4-oxadiazole33575-83-6DTXSID20311024RefChem:460302DTXCID90262150819-140-62-Chloromethyl-5-phenyl-[1,3,4]oxadiazole2-Chloromethyl-5-phenyl-1,3,4-oxadiazoleMFCD004663321,3,4-Oxadiazole, 2-(chloromethyl)-5-phenyl-MLS000564019Enamine_005035

이름 더 보기

2-클로로메틸-5-페닐-[1,3,4]옥사디아졸2-CHLOROMETHYL-5-PHENYL1,3,4-Oxadiazole,2-(chloroMethyl)-5-phenyl-2-(Chloromethyl)-5-phenyl-1,3,4-oxadiazole95%[5-(Chloromethyl)-1,3,4-oxadiazol-2-yl]benzene2-(chloromethyl)-5-phenyl-1,3,4-oxadiazole(SALTDATA: FREE)

NSC235938SMR000175986SCHEMBL4851595-(chloromethyl)-2-phenyl-1,3,4-oxadiazolecid_3149cid_314941orb3022504CHEMBL1610614

데이터베이스 식별자

CAS: 33575-83-6
PubChem CID: 314941
DTXSID: DTXSID20311024
ChEMBL: CHEMBL1610614
EC Number: 819-140-6
Nikkaji: J2.077.593I

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 38.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 162

물리화학적 성질

녹는점: 119 · 119-121°
끓는 점: 316.9 · 316.9±44.0 °C(Predicted)
밀도: 1.283 · 1.283±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): -5.74 · -5.74±0.32(Predicted)
물리적 상태: 결정성 분말
색상: 흰색에서 황백색까지

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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.