기본 정보
- CAS
73459-03-7- 표준 SMILES
Cc1cc2occc2c2oc(=O)ccc12- InChIKey
ZJVOHJVSTORGLI-UHFFFAOYSA-N- 분자식
- C12H8O3
- 평균 분자량
- 200.19 g/mol
- 단동위원소 질량
- 200.04734411
개요
5-methylisopsoralen is a white fibrous crystalline solid. (NTP, 1992)
이름 및 식별자
- 우선 이름
- 5-Methyl-2H-furo(2,3-h)-1-benzopyran-2-one
- IUPAC
- 5-methylfuro[2,3-h]chromen-2-one
- 현지명
- 5-메틸안젤리신
- 영어명
- 5-methylangelicin
- 분자식
- C12H8O3
- 분자량
- 200.19
이름 및 동의어
5-Methylangelicin5-Methylisopsoralen73459-03-75-Methyl-2H-furo(2,3-h)-1-benzopyran-2-oneGKJ4N5T6Q4DTXSID50368942H-Furo(2,3-h)-1-benzopyran-2-one, 5-methyl-2H-Furo[2,3-h]-1-benzopyran-2-one, 5-methyl-5-Methyl-2H-furo[2,3-h]-1-benzopyran-2-oneRefChem:537242DTXCID30168945-methylfuro[2,3-h]chromen-2-one
이름 더 보기
5-메틸안젤리신8-Methyl-2H-furo[2,3-h]-1-benzopyran-2-one8-Methyl-2H-furo[2,3-h][1]benzopyran-2-one2-Methyl-3,9-dioxa-8H-benzo[e]indene-8-one
BRN 4428822Methylangelicin, 5-4-Hydroxy-6-methyl-5-benzofuranacrylic acid gamma-lactoneCHEMBL352646SCHEMBL1115503NIOSH/LV1453000CHEBI:824832H-FURO(2,3-H)(1)BENZOPYRAN-2-ONE, 5-METHYL-
데이터베이스 식별자
- CAS
73459-03-7- PubChem CID
- 62267
- DTXSID
DTXSID5036894- ChEMBL
CHEMBL352646- ChEBI
CHEBI:82483
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 39.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 310
실험 및 물리화학적 성질
LogP2.5
Physical Description5-methylisopsoralen is a white fibrous crystalline solid. (NTP, 1992)
물리화학적 성질
- 끓는 점
- 297.91 °C · 297.91°C (rough estimate)
- 밀도
- 1.2206 · 1.2206 (rough estimate)
- 굴절률
- 1.555 · 1.5550 (estimate)
- EPA
- 5 · 5-Methylisopsoralen (73459-03-7)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
안전 및 보호
Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill ResponseSTORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
독성 정보
Carcinogen Classification
5-Methylangelicin plus ultraviolet A radiation
화학 및 산업
응용 분야
일반 설명White fibrous crystalline solid.
관련 반응
1건
화합물 노트
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