3-(4-플루오로-페닐)-5-메틸-이속사졸-4-카르복실산에틸에스테르
Ethyl 3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
기본 정보
- CAS
954230-39-8- 표준 SMILES
CCOC(=O)c1c(-c2ccc(F)cc2)noc1C- InChIKey
QQZTUBJEZZHCKF-UHFFFAOYSA-N- 분자식
- C13H12FNO3
- 평균 분자량
- 249.24 g/mol
- 단동위원소 질량
- 249.08012146
이름 및 식별자
- 우선 이름
- Ethyl 3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
- IUPAC
- ethyl 3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
- 현지명
- 3-(4-플루오로-페닐)-5-메틸-이속사졸-4-카르복실산에틸에스테르
- 영어명
- 3-(4-Fluoro-phenyl)-5-methyl-isoxazole-4-carboxylic acid ethyl ester
- 분자식
- C13H12FNO3
- 분자량
- 249.24
이름 및 동의어
954230-39-8ethyl 3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylateDTXSID20624545RefChem:343189DTXCID50575298ethyl 3-(4-fluorophenyl)-5-methylisoxazole-4-carboxylateMFCD097564473-(4-FLUORO-PHENYL)-5-METHYL-ISOXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER3-(4-Fluorophenyl)-5-methylisoxazole-4-carboxylic acid ethyl esterSCHEMBL286034QQZTUBJEZZHCKF-UHFFFAOYSA-NAKOS005255701
이름 더 보기
3-(4-플루오로-페닐)-5-메틸-이속사졸-4-카르복실산에틸에스테르Ethyl 3-(4-fluorophenyl)-5-methylisoxazole-4-carboxylate 98%4-Isoxazolecarboxylic acid, 3-(4-fluorophenyl)-5-Methyl-, ethyl3-(4-fluorophenyl)-5-methyl-4-Isoxazolecarboxylicacid ethylester4-Isoxazolecarboxylic acid, 3-(4-fluorophenyl)-5-methyl-, ethyl ester
DS-16431SY1072953-(4-Fluorophenyl)-5-methylisoxazole-4-carboF219825ethyl3-(4-fluorophenyl)-5-methylisoxazole-4-carboxylateethyl 3-(4-fluorophenyl)-5-methyl-isoxazole-4-carboxylateEthyl 3-(4-fluorophenyl)-5-methylisoxazole-4-carboxylate, AldrichCPR
데이터베이스 식별자
- CAS
954230-39-8- PubChem CID
- 22309061
- DTXSID
DTXSID20624545- EC Number
- 677-445-8
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 52.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 292
물리화학적 성질
- 녹는점
- 58 · 58-59℃
- 저장 조건
- Sealed in dry,Room Temperature
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
안전 데이터
- HS 번호
- 2934999090
- risk_code
- 41
- hazard_code
- Xi
- safety_code
- 26-39
화학 및 산업
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