에틸5-메틸이속사졸-4-카르복실레이트

Ethyl 5-methylisoxazole-4-carboxylate

HCID 7009317

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 51135-73-0
표준 SMILES: CCOC(=O)c1cnoc1C
InChIKey: KOMSQTMQKWSQDW-UHFFFAOYSA-N
분자식: C7H9NO3
평균 분자량: 155.15 g/mol
단동위원소 질량: 155.05824315

이름 및 식별자

우선 이름: Ethyl 5-methylisoxazole-4-carboxylate
IUPAC: ethyl 5-methyl-1,2-oxazole-4-carboxylate
현지명: 에틸5-메틸이속사졸-4-카르복실레이트
영어명: Ethyl 5-methylisoxazole-4-carboxylate
분자식: C7H9NO3
분자량: 155.15

이름 및 동의어

Ethyl 5-methylisoxazole-4-carboxylate51135-73-0DTXSID30426552RefChem:344409DTXCID60377386625-158-3ethyl 5-methyl-1,2-oxazole-4-carboxylateMFCD01631119Ethyl 5-methyl-4-isoxazolecarboxylateEthyl 5-m+C3117ethyl-4-isoxazolecarboxylateHAL7837VWSSCHEMBL3884597

이름 더 보기

에틸5-메틸이속사졸-4-카르복실레이트5-METHYL-4-ISOXAZOLECARBOXYLATEETHYL 3-METHYLPYRAZOLE-4-CARBOXYLATEEthyl-5-methylisoxzaole-4 carboxylateethyl 5-methylisoxazol-4-yl-carboxylate3-ethyl-5-methyl-1H-pyrazole-4-carboxylate5-Methylisoxazole-4-carboxylic acid ethyl ester5-methyl-4-isoxazolecarboxylic acid ethyl ester

KOMSQTMQKWSQDW-UHFFFAOYSA-NEthyl5-methylisoxazole-4-carboxylateSBB087055STL134806ethyl-5-methylisoxazole-4-carboxylateAKOS005255272AC-4751Ethyl 5-methylisoxazol-4-yl carboxylate

데이터베이스 식별자

CAS: 51135-73-0
PubChem CID: 7009317
DTXSID: DTXSID30426552
UNII: HAL7837VWS
EC Number: 625-158-3
Nikkaji: J396.783B

물성

구조 계산 물성

XLogP: 1
극성 표면적: 52.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 149

물리화학적 성질

녹는점: 49 · 49-52°C
끓는 점: 95 · 95-97°C 15mm
밀도: 1.118 g/mL · 1.118 g/mL at 25 °C
굴절률: 1.4597 · 1.4597
인화점: 95 · 95-97°C/15mm
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름, 메탄올에 용해됨
물리적 상태: 고체
산도 계수 (pKa): -3.53 · -3.53±0.50(Predicted)
색상: 노란색
BRN: 122097 · 122097
InChI: 1S/C7H9NO3/c1-3-10-7(9)6-4-8-11-5(6)2/h4H,3H2,1-2H3
InChIKey: KOMSQTMQKWSQDW-UHFFFAOYSA-N
SMILES: CCOC(=O)c1cnoc1C

화학적 성질

Colorless liquid

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)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.