2-클로로메틸-5-메틸-4-옥소-3,4-디하이드로-티에노[2,3-D]피리미딘-6-카르복실산에틸에스테르
ethyl 2-(chloromethyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate
기본 정보
- CAS
89567-06-6- 표준 SMILES
CCOC(=O)c1sc2nc(CCl)[nH]c(=O)c2c1C- InChIKey
NDYRHNGDLDUAFF-UHFFFAOYSA-N- 분자식
- C11H11ClN2O3S
- 평균 분자량
- 286.74 g/mol
- 단동위원소 질량
- 286.0178911
이름 및 식별자
- 우선 이름
- ethyl 2-(chloromethyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate
- IUPAC
- ethyl 2-(chloromethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
- 현지명
- 2-클로로메틸-5-메틸-4-옥소-3,4-디하이드로-티에노[2,3-D]피리미딘-6-카르복실산에틸에스테르
- 영어명
- 2-Chloromethyl-5-methyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester
- 분자식
- C11H11ClN2O3S
- 분자량
- 286.73
이름 및 동의어
ethyl 2-(chloromethyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylateethyl 2-(chloromethyl)-5-methyl-4-oxo-3H,4H-thieno(2,3-d)pyrimidine-6-carboxylateRefChem:593978963-608-389567-06-6ethyl 2-(chloromethyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylateethyl 2-(chloromethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylateMFCD03658018SCHEMBL4523689DTXSID90368166NDYRHNGDLDUAFF-UHFFFAOYSA-NALBB-007011
이름 더 보기
2-클로로메틸-5-메틸-4-옥소-3,4-디하이드로-티에노[2,3-D]피리미딘-6-카르복실산에틸에스테르BB_SC-2813ZINC03220762AKOS BBS-00006592ethyl 2-(chloromethyl)-5-methyl-4-oxo-3H-thieno[5,4-d]pyrimidine-6-carboxylateethyl 2-(chloromethyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylatEthyl 2-(chloromethyl)-1,4-dihydro-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate2-(chloromethyl)-5-methyl-4-oxo-3H-thieno[5,4-d]pyrimidine-6-carboxylic acid ethyl ester
BBL005625SBB042559STK500347AKOS000271114BS-9852EN300-02031G31353SR-01000036215
데이터베이스 식별자
- CAS
89567-06-6- PubChem CID
- 2339310
- DTXSID
DTXSID90368166- EC Number
- 963-608-3
- Nikkaji
- J292.239H
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 96 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 402
물리화학적 성질
- 녹는점
- 190 °C · 190 °C
- 밀도
- 1.54 · 1.54±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.89 · 9.89±0.20(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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
- 위험 등급
- IRRITANT
화학 및 산업
상·하류 제품 정보
상류 원료
관련 반응
5건
화합물 노트
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