6,11-ジヒドロジベンゾ[b,e]チエピン-11-オン

Dibenzo[b,e]thiepin-11(6H)-one

HCID 73741

基本情報

CAS
1531-77-7
標準SMILES
O=C1c2ccccc2CSc2ccccc21
InChIKey
JGJDEWXZEIHBNW-UHFFFAOYSA-N
分子式
C14H10OS
平均分子量
226.3 g/mol
単同位体質量
226.04523611

名称と識別子

優先名称
Dibenzo[b,e]thiepin-11(6H)-one
IUPAC
6H-benzo[c][1]benzothiepin-11-one
現地名
6,11-ジヒドロジベンゾ[b,e]チエピン-11-オン
英語名
Dibenzo[b,e]thiepin-11(6H)-one
分子式
C14H10OS
分子量
226.29

名称と別名

Dibenzo[b,e]thiepin-11(6H)-one1531-77-7Dibenzo(b,e)thiepin-11(6H)-oneEINECS 216-241-1DTXSID50165219RefChem:132818DTXCID7087710216-241-16,11-Dihydrodibenzo[b,e]thiepin-11-oneHomothioxanthone6H-benzo[c][1]benzothiepin-11-oneMFCD02093738
名称をさらに表示
6,11-ジヒドロジベンゾ[b,e]チエピン-11-オンジベンゾ[b,e]チエピン-11(6H)-オン6,11-ジヒドロジベンゾ〔B,E〕チエピン-11-オン9-チアトリシクロ[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DothiepinoneDosulepin Impurity BDothiepin EP Impurity BDosulepin EP Impurity BMercaptopurine Impurity 9-13C211-Oxo-6,11-dihydrodibenzo thiepin
6,11-Dihydrodibenzo(b,e)thiepin-11-oneAS-50240SY037757O11519EN300-6759325Dibenz[b,e]thiepin-11(6H)-oneDosulepin Hydrochloride Imp. B (EP); Dosulepin Imp. B (EP); Dibenzo[b,e]thiepin-11(6H)-one; Dosulepin Hydrochloride Impurity B; Dosulepin Impurity B1-Oxo-6,11-dihydrodibenzo[b,e]thiepin

データベース識別子

CAS
1531-77-7
PubChem CID
73741
DTXSID
DTXSID50165219
UNII
6U28WH7DFM
EC Number
216-241-1
Nikkaji
J206.753F

物性

構造計算による物性

XLogP
3.5
極性表面積
42.4 Ų
水素結合供与体数
0
水素結合受容体数
2
回転可能結合数
0
重原子数
16

物理化学的性質

融点
86 · 86-88 °C(lit.)
沸点
175 · 175-180°C 1mm
比重(密度)
1.1989 · 1.1989 (rough estimate)
屈折率
1.57 · 1.5700 (estimate)
闪点
175 · 175-180°C/1mm
貯蔵温度
Keep in dark place,Sealed in dry,Room Temperature

化学的性質

化学的特性off-white crystalline powder

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 33.3% (4 of 12) of reports.

Warning

H315 (58.3%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (58.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 12 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 4 of 12 reports by companies.;There are 5 notifications provided by 8 of 12 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 InformationStatus: Active Update: 19-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/21040
Hazard Classes and CategoriesSkin Irrit. 2 (58.3%);Eye Irrit. 2A (58.3%);STOT SE 3 (50%)

法規制情報

Regulatory InformationStatus: Active Update: 19-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/21040

安全データ

wgk
3
hs_code
2930.90.2900
risk_code
36/37/38
hazard_code
Xi
safety_code
37/39-26
ストレージクラス
11 - Combustible Solids

化学と産業

応用分野 · 3 件

用途有機合成原料。

使用Homothioxanthone is used to inhibit dengue virus replication.

一般的な説明6,11-Dihydrodibenzo[b,e]thiepin-11-one is an organic building block. Its density is 1.2151g/ml at 25°C.

サプライヤー93 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hangzhou Collab Medicine Co.,Ltd.+86-15936229464 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]

関連反応

8 件

化合物ノート

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