에타논,1-(2,5-디메틸-4-옥사졸릴)-(9Cl)

1-(2,5-Dimethyl-1,3-oxazol-4-yl)ethan-1-one

HCID 14738583CAS 23000-12-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(=O)c1nc(C)oc1C
InChIKey: XWLBBTGITHATTI-UHFFFAOYSA-N
분자식: C7H9NO2
평균 분자량: 139.15 g/mol
단동위원소 질량: 139.06332853

이름 및 식별자

우선 이름: 1-(2,5-Dimethyl-1,3-oxazol-4-yl)ethan-1-one
IUPAC: 1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone
현지명: 에타논,1-(2,5-디메틸-4-옥사졸릴)-(9Cl)
영어명: Ethanone, 1-(2,5-dimethyl-4-oxazolyl)- (9CI)
분자식: C7H9NO2
분자량: 139.15

이름 및 동의어

23000-12-61-(2,5-Dimethyl-1,3-oxazol-4-yl)ethan-1-oneDTXSID40563447RefChem:222944DTXCID50514223877-621-61-(2,5-Dimethyloxazol-4-yl)ethanone1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanoneEthanone, 1-(2,5-dimethyl-4-oxazolyl)-MFCD097512681-(2,5-dimethyloxazol-4-yl)ethan-1-one2,5-Dimethyl-4-acetyl-oxazole

이름 더 보기

에타논,1-(2,5-디메틸-4-옥사졸릴)-(9Cl)1-(2,5-Dimethyl-4-Oxazolyl) EthanoneEthanone, 1-(2,5-dimethyl-4-oxazolyl)- (9CI)

1-(dimethyl-1,3-oxazol-4-yl)ethan-1-one4-acetyl-2,5dimethyloxazole4-acetyl-2,5-dimethyloxazoleSCHEMBL8613414XWLBBTGITHATTI-UHFFFAOYSA-Noxazole, 4-acetyl-2,5-dimethyl-1-(25-Dimethyloxazol-4-yl)ethanoneAKOS006228111

데이터베이스 식별자

CAS: 23000-12-6
PubChem CID: 14738583
DTXSID: DTXSID40563447
EC Number: 877-621-6

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 43.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 147

물리화학적 성질

녹는점: 49 °C · 49 °C
끓는 점: 93 °C · 93 °C(Press: 30 Torr)
밀도: 1.074 · 1.074±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 0.11 · 0.11±0.10(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.