에틸5-메틸리속사졸-3-카르복실레이트

Ethyl 5-methylisoxazole-3-carboxylate

HCID 76677CAS 3209-72-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)c1cc(C)on1
InChIKey: OCCIGHIQVMLYBZ-UHFFFAOYSA-N
분자식: C7H9NO3
평균 분자량: 155.15 g/mol
단동위원소 질량: 155.05824315

이름 및 식별자

우선 이름: Ethyl 5-methylisoxazole-3-carboxylate
IUPAC: ethyl 5-methyl-1,2-oxazole-3-carboxylate
현지명: 에틸5-메틸리속사졸-3-카르복실레이트
영어명: ETHYL 5-METHYLISOXAZOLE-3-CARBOXYLATE
분자식: C7H9NO3
분자량: 155.15

이름 및 동의어

Ethyl 5-methylisoxazole-3-carboxylate3209-72-1DTXSID60185887EINECS 221-720-3RefChem:138832DTXCID00108378221-720-3ethyl 5-methyl-1,2-oxazole-3-carboxylateC7H9NO3MFCD000850803-ISOXAZOLECARBOXYLIC ACID, 5-METHYL-, ETHYL ESTER5-Methyl-isoxazole-3-carboxylic acid ethyl ester

이름 더 보기

에틸5-메틸리속사졸-3-카르복실레이트AKOS PAO-1390VITAS-BB TBB0006453-Ethoxycarbonyl-5-methylisoxazoleethyl 5-Methyl-3-isoxazolecarboxylate5-methylisoxazole-3-carboxylate ethylEthyl 5-methylisoxazole-3-carboxylate 95%Ethyl 5-methylisoxazole-3-carboxylate ,97%Ethyl 5-methylisoxazole-3-carboxylate, 95+%

STR09384Ethyl 5-methylisoxazol-3-carboxylateEthyl5-methylisoxazole-3-carboxylateAKOS003672832AS-5027SY061617AMY21973BB 0258841

데이터베이스 식별자

CAS: 3209-72-1
PubChem CID: 76677
DTXSID: DTXSID60185887
UNII: 7BQ2R2LV8R
EC Number: 221-720-3
Nikkaji: J24.403A

물성

구조 계산 물성

XLogP: 1.4
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: 27 · 27-31 °C
끓는 점: 77 · 77-79°C 0,5mm
밀도: 1.139 · 1.139
인화점: 77 · 77-79°C/0.5mm
저장 조건: 2 · 2-8°C
물리적 상태: solid
산도 계수 (pKa): -5.08 · -5.08±0.50(Predicted)
수용성: 물에 녹지 않습니다.
InChI: InChI=1S/C7H9NO3/c1-3-10-7(9)6-4-5(2)11-8-6/h4H,3H2,1-2H3
InChIKey: OCCIGHIQVMLYBZ-UHFFFAOYSA-N
SMILES: O1C(C)=CC(C(OCC)=O)=N1

화학적 성질

Low melting solid or Liquid

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
HS 번호: 29349990
safety_code: 24/25
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Ethyl 5-methylisoxazole-3-carboxylate, It is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuff.