기본 정보
- CAS
58621-51-5- 표준 SMILES
CC(=O)c1ccc2c(c1)CC(C)O2- InChIKey
MORJCRDAGOARLY-UHFFFAOYSA-N- 분자식
- C11H12O2
- 평균 분자량
- 176.21 g/mol
- 단동위원소 질량
- 176.08372962
이름 및 식별자
- 우선 이름
- 1-(2-Methyl-2,3-dihydro-1-benzofuran-5-yl)ethan-1-one
- IUPAC
- 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone
- 영어명
- 1-(2,3-Dihydro-2-methyl-1-benzofuran-5-yl)ethan-1-one
- 분자식
- C11H12O2
- 분자량
- 176.21
이름 및 동의어
58621-51-51-(2-Methyl-2,3-dihydro-1-benzofuran-5-yl)ethan-1-oneDTXSID10974162RefChem:422453DTXCID101401597882-360-65-Acetyl-2-methylcoumaran1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone1-(2-methyl-2,3-dihydrobenzofuran-5-yl)ethanone5-Acetyl-2,3-dihydro-2-methylbenzo[b]furanMFCD001686795-ACETYL-2,3-DIHYDRO-2-METHYLBENZOFURAN
이름 더 보기
5-Acetyl-2,3-dihydro-2-methylbenzo[b]furan 95+%Ethanone, 1-(2,3-dihydro-2-methyl-5-benzofuranyl)-1-(2-methyl-2,3-dihydrobenzofuran-5-yl)ethan-1-one1-(2,3-Dihydro-2-methyl-1-benzofuran-5-yl)ethan-1-one1-(2,3-Dihydro-2-methyl-1-benzofuran-5-yl)ethan-1-one, 5-Acetyl-2,3-dihydro-2-methyl-1-benzofuran
5-acetyl-2-methyl coumaranSCHEMBL1092598MORJCRDAGOARLY-UHFFFAOYSA-NICA62151AKOS000111855AKOS022488557VS-08720DB-122258
데이터베이스 식별자
- CAS
58621-51-5- PubChem CID
- 42799
- DTXSID
DTXSID10974162- EC Number
- 882-360-6
- Nikkaji
- J2.103.537H
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 212
물리화학적 성질
- 끓는 점
- 163 · 163-164 °C(Press: 20 Torr)
- 밀도
- 1.093 · 1.093±0.06 g/cm3(Predicted)
- 물리적 상태
- solid
- InChI
- 1S/C11H12O2/c1-7-5-10-6-9(8(2)12)3-4-11(10)13-7/h3-4,6-7H,5H2,1-2H3
- InChIKey
- MORJCRDAGOARLY-UHFFFAOYSA-N
- SMILES
- CC1Cc2cc(ccc2O1)C(C)=O
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (50%)
안전 데이터
- wgk
- WGK 3
- HS 번호
- 2932190090
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
공급사6 곳
Aladdin Scientific[email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
箴德化工科技（上海）有限公司15601952568 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
苏州越恒医药科技有限公司15962211760 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
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