에틸3,5-디메틸리속사졸-4-카르복실레이트

Ethyl 3,5-dimethylisoxazole-4-carboxylate

HCID 736348CAS 17147-42-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)c1c(C)noc1C
InChIKey: OQRHVDXUJAQVNT-UHFFFAOYSA-N
분자식: C8H11NO3
평균 분자량: 169.18 g/mol
단동위원소 질량: 169.07389321

이름 및 식별자

우선 이름: Ethyl 3,5-dimethylisoxazole-4-carboxylate
IUPAC: ethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
현지명: 에틸3,5-디메틸리속사졸-4-카르복실레이트
영어명: ETHYL 3,5-DIMETHYLISOXAZOLE-4-CARBOXYLATE
분자식: C8H11NO3
분자량: 169.18

이름 및 동의어

ethyl 3,5-dimethylisoxazole-4-carboxylate17147-42-1DTXSID60353004RefChem:343064DTXCID30304068ethyl 3,5-dimethyl-1,2-oxazole-4-carboxylateEthyl 3,5-dimethyl-4-isoxazolecarboxylateMFCD00052557Ethyl 3,5-Dimethyl-isoxazole-4-carboxylate4-ISOXAZOLECARBOXYLIC ACID, 3,5-DIMETHYL-, ETHYL ESTER3,5-dimethyl-isoxazole-4-carboxylic acid ethyl ester3,5-DIMETHYLISOXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER

이름 더 보기

에틸3,5-디메틸리속사졸-4-카르복실레이트ethyl 3AKOS PAO-1554RARECHEM AL BI 05165-diMethylisoxazole-4-carboxylate3,5-Dimethyl-4-(ethoxycarbonyl)isoxazoleEthyl 3,5-Dimethylsoxazole-4-carboxylateEthyl 3,5-Dimethoxyisoxazole-4-carboxylate

SCHEMBL2775305OQRHVDXUJAQVNT-UHFFFAOYSA-NHMS1732J054-carbethoxy-3,5-dimethylisoxazoleALBB-0098384-carboethoxy-3,5-dimethylisoxazoleSBB020613STK349057

데이터베이스 식별자

CAS: 17147-42-1
PubChem CID: 736348
DTXSID: DTXSID60353004
Nikkaji: J266.794K

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: 12
형식 전하: 0
복잡도: 172

물리화학적 성질

끓는 점: 88 °C · 88°C 2mm
밀도: 1 · 1+-.0.06 g/cm3(Predicted)
굴절률: 1.46 to · 1.4600 to 1.4640
인화점: 87 · 87-89°C/2mm
산도 계수 (pKa): -2.52 · -2.52±0.28(Predicted)
물리적 상태: 투명한 액체
색상: 무색~연황색
InChI: 1S/C8H11NO3/c1-4-11-8(10)7-5(2)9-12-6(7)3/h4H2,1-3H3
InChIKey: OQRHVDXUJAQVNT-UHFFFAOYSA-N
SMILES: O=C(OCC)C1=C(C)ON=C1C

화학적 성질

Colorless liquid

안전 및 규제

안전 데이터

wgk: WGK 3
HS 번호: 29349990
safety_code: 24/25
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 3 Oral
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects