기본 정보
- CAS
39654-52-9- 표준 SMILES
O=C1c2ccccc2C(Br)C(Br)c2ccccc21- InChIKey
UXTYUOCJQGRAIG-UHFFFAOYSA-N- 분자식
- C15H10Br2O
- 평균 분자량
- 366.05 g/mol
- 단동위원소 질량
- 363.90984
이름 및 식별자
- 우선 이름
- trans-10,11-Dibromodibenzosuberone
- IUPAC
- 9,10-dibromotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one
- 영어명
- 10,11-Dibromo-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-one
- 분자식
- C15H10Br2O
- 분자량
- 366.05
이름 및 동의어
RefChem:898717trans-10,11-Dibromodibenzosuberone620-606-410,11-Dibromo-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-one10,11-Dibromo 5-Dibenzosuberenone10,11-Dibromo-10,11-dihydrodibenzo[a,d]cycloheptene-5-one57295-97-39,10-dibromotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-oneCyclobenzaprine Impurity 2SCHEMBL8087837AKOS0243649995H-Dibenzo[a,d]cyclohepten-5-one,10,11-dibromo-10,11-dihydro-, (10R,11R)-rel-
이름 더 보기
Cyclobenzaprine Impurity 1210,11-Dibromo10,11-dihydro-5-dibenzosuberenone
DB-049459ST5099764310,11-Dibromo-10,11-dihydro-dibenzo[a,d]cyclohepten-5-one(5S,6S)-5,6-dibromo-5,6-dihydrodibenzo[a,d][7]annulen-11-one10,11-Dibromo-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-one #
데이터베이스 식별자
- CAS
39654-52-9- PubChem CID
- 601421
- EC Number
- 620-606-4
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 300
물리화학적 성질
- 녹는점
- 213 °C · 213 °C (dec.)(lit.)
- 끓는 점
- 395.6 · 395.6±42.0 °C(Predicted)
- 밀도
- 1.751 · 1.751±0.06 g/cm3(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, 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 39 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 CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
화학 및 산업
응용 분야
용도10,11-Dibromo10,11-dihydro-5-dibenzosuberenone is an intermediate in the synthesis of 10-Hydroxy (E)-Amitriptyline (D462790). (5E)-5-[3-(dimethylamino)propylidene]-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-10-ol is a metabolite of amitriptyline (A633350) which is a dibenzocycloheptadiene derivative and an antidepressant (1). Amitriptyline is also a TrkA and TrkB receptor agonist and exhibits neurotrophic and anti-inflammatory activities (2,3). Drinking water contaminant candidate list 3 (CCL 3) compound as per United States Environmental Protection Agency (EPA).
공급사11 곳
济南百隆化学有限公司[email protected] · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
卓瑞宁（上海）科技有限公司18163338995 18163338995 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
卡托研究化学公司+86-020-81960175-877 4000-868-328;4000-868-328 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
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