Dibenzosuberone (HCID 14589)

名称と識別子

優先名称: Dibenzosuberone
IUPAC: tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one
現地名: ジベンゾスベロン
英語名: Dibenzosuberone
分子式: C15H12O
分子量: 208.26

名称と別名

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

名称をさらに表示

ジベンゾスベロンジベンゾ[a,d]-1,4-シクロヘプタジエン-5-オン10,11-ジヒドロ-5H-ジベンゾ[a,d]シクロヘプテン-5-オン10,11-ジヒドロ-5H-ジベンゾ[A,D][7]アニュレン-5-オンAMITRIPTYLINE RELATED COMPOUND A (ジベンゾスべロン)トリシクロ[9.4.0.03,8]ペンタデカ-1(15),3,5,7,11,13-ヘキサエン-2-オン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

データベース識別子

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

物性

構造計算による物性

XLogP: 4
極性表面積: 17.1 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 16
形式電荷: 0
複雑度: 245

物理化学的性質

融点: 32 · 32-34 °C(lit.)
沸点: 148 °C0.3 · 148 °C0.3 mm Hg(lit.)
比重(密度): 1.156 g/mL · 1.156 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.6332(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: 30 °C · Store below +30°C.
溶解性: 0.03 g/l · 0.03g/l
外見: 液体または低融点固体
色: クリアイエロー
水溶解度: 不溶性
BRN: 1454355 · 1454355
主な用途: 医薬品医薬品低分子化合物
InChI: 1S/C15H12O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8H,9-10H2
InChIKey: BMVWCPGVLSILMU-UHFFFAOYSA-N
SMILES: O=C1c2ccccc2CCc3ccccc13
LogP: 3.855 · 3.855 (est)
CAS データベース: 1210 · 1210-35-1(CAS DataBase Reference)
NISTの化学物質情報: 5 H-Dibenzo[a,d]cyclohepten-5-one, · 5H-Dibenzo[a,d]cyclohepten-5-one, 10,11-dihydro-(1210-35-1)
EPAの化学物質情報: 5 H-Dibenzo[a,d]cyclohepten-5-one, · 5H-Dibenzo[a,d]cyclohepten-5-one, 10,11-dihydro- (1210-35-1)

化学的性質

化学的特性Clear yellow liquid or low melting solid

安全と法規制

GHS分類

GHS Classification · 6 件

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.

危険有害性情報

Regulatory Information · 3 件

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%)

法規制情報

Regulatory Information · 3 件

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

安全データ

wgk: 3
tsca: TSCA listed
rtecs: HP1149700
毒性: LD50 orally in Rabbit: 2511 mg/kg LD50 dermal Rat > 2000 mg/kg
hs_code: 29143900
risk_code: 36/37/38
化審法: (9)-2139
hazard_code: Xi
safety_code: 24/25-36-26
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

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

応用分野

用途有機合成原料。

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

上流・下流製品情報

上流原料

ethylbenzoic acid

下流製品

ジベンゾスベレノン Spiro[5H-dibenzo[a,d]cycloheptene-5,2'(5'H)-furan]-5'-one, 3',4',10,11-tetrahydro-10,11-ジヒドロ-5-[3-(メチルアミノ)プロピル]-5H-ジベンゾ[a,d]シクロヘプテン-5-オール

サプライヤー50 社

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]

ジベンゾスベロン

基本情報