CAS 179056-82-7 4-(5-Methyl-1,3,4-oxadiazol-2-yl)benzaldehyde (HCID 10655207)

기본 정보

CAS: 179056-82-7
표준 SMILES: Cc1nnc(-c2ccc(C=O)cc2)o1
InChIKey: MPECIJQJPPLBGV-UHFFFAOYSA-N
분자식: C10H8N2O2
평균 분자량: 188.18 g/mol
단동위원소 질량: 188.0585775

이름 및 식별자

우선 이름: 4-(5-Methyl-1,3,4-oxadiazol-2-yl)benzaldehyde
IUPAC: 4-(5-methyl-1,3,4-oxadiazol-2-yl)benzaldehyde
현지명: 4-(5-메틸-1,2,4-옥사디아졸-3-일)벤잘데하이드
영어명: 4-(5-METHYL-1,2,4-OXADIAZOL-3-YL)BENZALDEHYDE
분자식: C10H8N2O2
분자량: 188.18

이름 및 동의어

4-(5-methyl-1,3,4-oxadiazol-2-yl)benzaldehyde179056-82-7DTXSID50443024RefChem:288334DTXCID20393845MFCD11109323Benzaldehyde, 4-(5-methyl-1,3,4-oxadiazol-2-yl)-SCHEMBL953863Benzaldehyde,4-(5-methyl-1,3,4-oxadiazol-2-yl)-MPECIJQJPPLBGV-UHFFFAOYSA-NSBB090749AKOS006346513

이름 더 보기

4-(5-메틸-1,2,4-옥사디아졸-3-일)벤잘데하이드Benzaldehyde,4-(2H-1,2,3-triazol-2-yl)-2-(4-Formylphenyl)-5-methyl-1,3,4-oxadiazole4-(5-Methyl-1,3,4-oxadiazol-2-yl)benzaldehyde97%4-(5-Methyl-1,3,4-oxadiazol-2-yl)benzaldehyde 97%

PS-5580DB-065251CS-0205798EN300-745580F77555F6357634-(5-Methyl-[1,3,4]oxadiazol-2-yl)-benzaldehyde

데이터베이스 식별자

CAS: 179056-82-7
PubChem CID: 10655207
DTXSID: DTXSID50443024
EC Number: 690-648-6

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 56 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 202

물리화학적 성질

끓는 점: 354.3 · 354.3±44.0 °C(Predicted)
밀도: 1.238 · 1.238±0.06 g/cm3(Predicted)
산도 계수 (pKa): -4.19 · -4.19±0.32(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): 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)

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