Dibenzosuberone

HCID 14589CAS 1210-35-1
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=C1c2ccccc2CCc2ccccc21
InChIKey
BMVWCPGVLSILMU-UHFFFAOYSA-N
분자식
C15H12O
평균 분자량
208.25 g/mol
단동위원소 질량
208.088815

이름 및 식별자

우선 이름
Dibenzosuberone
IUPAC
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one
영어명
Dibenzosuberone
분자식
C15H12O
분자량
208.26

이름 및 동의어

Dibenzosuberone1210-35-1DibenzocycloheptenoneDibenzosuberan-5-oneDibenzsuberone2,3:6,7-Dibenzosuberone5H-Dibenzo[a,d]cyclohepten-5-one, 10,11-dihydro-Dibenzo(a,d)cycloheptadien-5-one10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-oneDibenzo[a,d]cycloheptadien-5-oneDTXSID4049400Dibenzo(a,d)cyclohepta(1,4)dien-5-one
이름 더 보기
10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-onedienone5-DIBENZOSUBERONEDibenzocycloheptanoneDDCONSC 49727DibezosuberoneDIBENZOSUBERONE98%
10,11-Dihydrodibenzo(a,d)cyclohepten-5-one8ETK71TH0H5H-Dibenzo(a,d)cyclohepten-5-one, 10,11-dihydro-10,11-DIHYDRO-5H-DIBENZO(A,D)CYCLOHEPTEN-5-ONENSC-49727DTXCID4029359Dibenzo[a,d]cyclohepta[1,4]dien-5-one10,11-Dihydrodibenzo[a,d]cyclohepten-5-one

데이터베이스 식별자

CAS
1210-35-1
PubChem CID
14589
DTXSID
DTXSID4049400
ChEMBL
CHEMBL1905787
UNII
8ETK71TH0H
EC Number
214-912-3
Nikkaji
J149.830D

물성

구조 계산 물성

XLogP
4
극성 표면적
17.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
0
무거운 원자 수
16

물리화학적 성질

녹는점
32 · 32-34 °C(lit.)
끓는 점
148 °C0.3 · 148 °C0.3 mm Hg(lit.)
밀도
1.156 g/mL · 1.156 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.6332(lit.)
인화점
230 °F · >230 °F
저장 조건
30 °C · Store below +30°C.

화학적 성질

Clear yellow liquid or low melting solid

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 85.1% (63 of 74) of all reports.

Warning

H319 (13.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 74 reports by companies from 6 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 63 of 74 reports by companies.；There are 4 notifications provided by 11 of 74 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 Information · 3건

Chemical: 5H-Dibenzo[a,d]cyclohepten-5-one, 10,11-dihydro-

Status: Active Update: 07-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/18967

5H-Dibenzoa,dcyclohepten-5-one, 10,11-dihydro-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesEye Irrit. 2 (13.5%)

규제 정보

Regulatory Information · 3건

Chemical: 5H-Dibenzo[a,d]cyclohepten-5-one, 10,11-dihydro-

Status: Active Update: 07-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/18967

5H-Dibenzoa,dcyclohepten-5-one, 10,11-dihydro-: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
HP1149700
독성
LD50 orally in Rabbit: 2511 mg/kg LD50 dermal Rat > 2000 mg/kg
HS 번호
29143900
risk_code
36/37/38

화학 및 산업

용도 및 제조

General Manufacturing Information5H-Dibenzo[a,d]cyclohepten-5-one, 10,11-dihydro-: ACTIVE

응용 분야

용도Dibenzosuberone is a potential antidepressant compound. It is used in the synthesis of amitriptyline.

상·하류 제품 정보

상류 원료

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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