에틸5-(클로로메틸)-3-이속사졸카르복실레이트

Ethyl 5-chloromethylisoxazole-3-carboxylate

HCID 14674306

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 3209-40-3
표준 SMILES: CCOC(=O)c1cc(CCl)on1
InChIKey: RNURPQMTRDHCNM-UHFFFAOYSA-N
분자식: C7H8ClNO3
평균 분자량: 189.59 g/mol
단동위원소 질량: 189.0192708

이름 및 식별자

우선 이름: Ethyl 5-chloromethylisoxazole-3-carboxylate
IUPAC: ethyl 5-(chloromethyl)-1,2-oxazole-3-carboxylate
현지명: 에틸5-(클로로메틸)-3-이속사졸카르복실레이트
영어명: ethyl 5-(chloromethyl)-3-isoxazolecarboxylate
분자식: C7H8ClNO3
분자량: 189.6

이름 및 동의어

ethyl 5-chloromethylisoxazole-3-carboxylateRefChem:595750692-190-23209-40-3ethyl 5-(chloromethyl)isoxazole-3-carboxylateethyl 5-(chloromethyl)-1,2-oxazole-3-carboxylateEthyl 5-(chloromethyl)-3-isoxazolecarboxylateMFCD08445409STK282923AKOS000265758AB45286CS-10401

이름 더 보기

에틸5-(클로로메틸)-3-이속사졸카르복실레이트Ethyl 5-(chloromethyl)isoxazole-3-carboxylate5-(chloromethyl)-3-isoxazolecarboxylic acid ethyl ester5-(Chloromethyl)isoxazole-3-carboxylic acid ethyl ester3-Isoxazolecarboxylic acid, 5-(chloromethyl)-, ethyl ester

SY1228905-CHLOROMETHYL-ISOXAZOLE-3-CARBOXYLIC ACID ETHYL ESTERBCP32344Ehyl 5-(ChloromethAM85725ethyl 5-chloromethyl isoxazole-3-carboxylateSCHEMBL1166530DTXSID30562904

데이터베이스 식별자

CAS: 3209-40-3
PubChem CID: 14674306
DTXSID: DTXSID30562904
EC Number: 692-190-2

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 52.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 12
형식 전하: 0
복잡도: 165

물리화학적 성질

끓는 점: 312.4 · 312.4±32.0 °C(Predicted)
밀도: 1.285 · 1.285±0.06 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): -5.98 · -5.98±0.50(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

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.