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기본 정보
- CAS
28705-46-6- 표준 SMILES
CCOC(=O)c1cc2ccc(N(CC)CC)cc2oc1=O- InChIKey
MSOLGAJLRIINNF-UHFFFAOYSA-N- 분자식
- C16H19NO4
- 평균 분자량
- 289.33 g/mol
- 단동위원소 질량
- 289.13140809
이름 및 식별자
- 우선 이름
- 2H-1-Benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-, ethyl ester
- IUPAC
- ethyl 7-(diethylamino)-2-oxochromene-3-carboxylate
- 현지명
- 7-(디에틸아미노)쿠마린-3-카르복실산에틸에스테르
- 영어명
- 7-(Diethylamino)coumarin-3-carboxylic acid ethyl ester
- 분자식
- C16H19NO4
- 분자량
- 289.33
이름 및 동의어
28705-46-6ethyl 7-(diethylamino)-2-oxo-2H-chromene-3-carboxylate2H-1-Benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-, ethyl esterEthyl 7-diethylaminocoumarin-3-carboxylateDTXSID2067406RefChem:484167DTXCID6037857419-180-0640-407-6Ethyl 7-(Diethylamino)coumarin-3-carboxylateethyl 7-(diethylamino)-2-oxochromene-3-carboxylateMFCD00227484
이름 더 보기
7-(디에틸아미노)쿠마린-3-카르복실산에틸에스테르S0679hMAO-B-IN-32RARECHEM AB KA K019Ethyl7-(Diethylamino)coumarin-3-carboxylate>ETHYL 7-DIETHYLAMINO-COUMARIN-3-CARBOXYLATE: 98.5%7- (Diethylamino) -2-oxo-2H-phenylmethyl-3-carboxylate ethyl ester7-Diethylamino-2-oxo-2H-1-benzopyran-3-carboxylic acid ethyl ester
CHEMBL2566997-(Diethylamino)coumarin-3-carboxylic Acid Ethyl EsterEthyl7-(Diethylamino)coumarin-3-carboxylateOprea1_201894orb1944608orb2900425SCHEMBL1772718BDBM50353733
물성
구조 계산 물성보충 중
- XLogP
- 3.2
- 극성 표면적
- 55.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 428
물리화학적 성질
- 녹는점
- 86 °C · 86 °C
- 끓는 점
- 455.6 · 455.6±45.0 °C(Predicted)
- 밀도
- 1.204 · 1.204
- 인화점
- 229.3 ℃ · 229.3℃
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 메탄올에 용해됨
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 2.83 · 2.83±0.20(Predicted)
- 색상
- Light yellow to Amber to Dark green
- InChI
- InChI=1S/C16H19NO4/c1-4-17(5-2)12-8-7-11-9-13(15(18)20-6-3)16(19)21-14(11)10-12/h7-10H,4-6H2,1-3H3
- InChIKey
- MSOLGAJLRIINNF-UHFFFAOYSA-N
- SMILES
- C1(=O)OC2=CC(N(CC)CC)=CC=C2C=C1C(OCC)=O
- EPA
- 2 H-1-Benzopyran-3-carboxylic · 2H-1-Benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-, ethyl ester (28705-46-6)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 4.2% (1 of 24) of reports.
Warning
H302 (95.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (95.8%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (95.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 24 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 24 reports by companies.；There are 2 notifications provided by 23 of 24 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/9895
Hazard Classes and Categories
Acute Tox. 4 (100%)；Skin Sens. 1 (100%)；Eye Irrit. 2 (100%)
Acute Tox. 4 (95.8%)；Skin Sens. 1 (95.8%)；Eye Irrit. 2 (95.8%)
규제 정보
Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/9895
안전 데이터
화학 및 산업
용도 및 제조
General Manufacturing Information2H-1-Benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-, ethyl ester: ACTIVE
상·하류 제품 정보
하류 제품
공급사67 곳
湖北蝶化新材料科技有限公司86-18372897-544 18995560451 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
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