에타논,1-(2,4-디메틸-5-옥사졸릴)-(9Cl)

5-Acetyl-2,4-dimethyloxazole

HCID 318418CAS 23012-25-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(=O)c1oc(C)nc1C
InChIKey: YJWCNOMJKJYKLQ-UHFFFAOYSA-N
분자식: C7H9NO2
평균 분자량: 139.15 g/mol
단동위원소 질량: 139.06332853

개요

5-Acetyl-2,4-dimethyloxazole is an oxazole.

이름 및 식별자

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

이름 및 동의어

23012-25-15-acetyl-2,4-dimethyloxazole1-(dimethyl-1,3-oxazol-5-yl)ethan-1-oneRefChem:10725951-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone1-(2,4-dimethyl-1,3-oxazol-5-yl)ethan-1-one1-(2,4-dimethyloxazol-5-yl)ethanoneEthanone, 1-(2,4-dimethyl-5-oxazolyl)-MFCD019344515-acetyl-2,4-dimethyl-1,3-oxazoleNSC254970NSC 254970

이름 더 보기

에타논,1-(2,4-디메틸-5-옥사졸릴)-(9Cl)Ethanone, 1-(2,4-dimethyl-5-oxazolyl)- (9CI)2-phenyl-5-(trifluoromethyl)-4-oxazolecarboxylic acid1-(2,4-Dimethyl-1,3-oxazol-5-yl)ethan-1-one, 2,4-Dimethyl-5-ethanoyl-1,3-oxazole

NSC-2549701-(2,4-Dimethyl-5-oxazolyl)ethanone2,4-dimethyl-5-acetyloxazoleLCY7CQ7XQYSCHEMBL210291DTXSID30312446CHEBI:166558YJWCNOMJKJYKLQ-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 23012-25-1
PubChem CID: 318418
DTXSID: DTXSID30312446
ChEBI: CHEBI:166558
UNII: LCY7CQ7XQY
EC Number: 674-367-6
Nikkaji: J1.852.928I

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: 170 · 170-172°C
끓는 점: 162 · 162-164 °C(Press: 785 Torr)
밀도: 1.074 · 1.074±0.06 g/cm3(Predicted)
산도 계수 (pKa): 0.19 · 0.19±0.10(Predicted)
물리적 상태: 고체
색상: 노란색
LogP: -0.738 · -0.738 (est)

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, P317, 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.