기본 정보
- CAS
5606-55-3- 표준 SMILES
CCOC(=O)C1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O- InChIKey
DTKOQJNQMOCKQU-UHFFFAOYSA-N- 분자식
- C18H15ClN2O3
- 평균 분자량
- 342.8 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepine-3-carboxylate
- IUPAC
- ethyl 7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylate
- 영어명
- ethyl 7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepine-3-carboxylate
- 분자식
- C18H15ClN2O3
- 분자량
- 342.78
이름 및 동의어
Ethyl 7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepine-3-carboxylateRefChem:596012227-026-75606-55-3Ethyl clorazepateClorazepic Acid Ethyl EsterKC3D4ENU6Hethyl 7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylate(Z)-Ethyl 7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-benzo[e][1,4]diazepine-3-carboxylateEthyl 7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepine-3-carboxylateEthyl 7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepine-3-carboxylateETHYL 7-CHLORO-2-OXO-5-PHENYL-2,3-DIHYDRO-1H-BENZO(E)(1,4)DIAZEPINE-3-CARBOXYLATE
이름 더 보기
ethyl 7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzo diazepine-3-carboxylate7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one-3-carboxylic acid ethyl ester1H-1,4-Benzodiazepine-3-carboxylic acid, 7-chloro-2,3-dihydro-2-oxo-5-phenyl-, ethyl esterethyl (3RS)-7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepine-3-carboxylate (ethyl clorazepate).
1H-1,4-Benzodiazepine-3-carboxylic acid, 7-chloro-2,3-dihydro-2-oxo-5-phenyl-, ethyl ester; 7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one-3-carboxylic acid ethyl ester; Ethyl Clorazepate; Clorazepate Imp. C (EP)UNII-KC3D4ENU6HClorazepate EP Impurity C7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepine-3-carboxylic acid ethyl esterSCHEMBL11607585DTXSID70971435EINECS 227-026-7AB89565
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 67.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 516
물리화학적 성질
- 저장 조건
- 0 · Store at 0-8 °C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (14.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationStatus: Active Update: 17-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19618
Hazard Classes and CategoriesSkin Irrit. 2 (14.3%)
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H412
화학 및 산업
공급사14 곳
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