Iminodibenyl (HCID 10308)

名称と識別子

優先名称: Iminodibenyl
IUPAC: 6,11-dihydro-5H-benzo[b][1]benzazepine
現地名: 10,11-ジヒドロ-5H-ジベンゾ[b,f]アゼピン
英語名: Iminodibenzyl
分子式: C14H13N
分子量: 195.26

名称と別名

Iminodibenzyl494-19-910,11-Dihydro-5H-dibenzo[b,f]azepine10,11-Dihydro-5H-dibenz[b,f]azepineIminobibenzyl2,2'-Iminodibenzyl2,2'-IminobibenzylIminodibenyl5H-Dibenz[b,f]azepine, 10,11-dihydro-10,11-Dihydrodibenz(b,f)azepineNSC 72110RP 23669

名称をさらに表示

10,11-ジヒドロ-5H-ジベンゾ[b,f]アゼピン2,2'-イミノジベンジルイミノジベンジル10,11-ジヒドロ-5H-ジベンズ[B,F]アゼピンイミノジベンジル, 97%2-アザトリシクロ[9.4.0.03,8]ペンタデカ-1(15),3,5,7,11,13-ヘキサエン2,2′-イミノジベンジルIMIDODIBENZYLlminodibenzylIminodibenzyyl

10,11-Dihydro-5-dibenz(b,f)azepineDTXSID80494145H-Dibenz(b,f)azepine, 10,11-dihydro-EINECS 207-787-110,11-Dihydro-5H-dibenz(b,f)azepineBRN 0152732262BX7OE3UDTXCID7029374

データベース識別子

CAS: 494-19-9
PubChem CID: 10308
DTXSID: DTXSID8049414
ChEMBL: CHEMBL63054
UNII: 262BX7OE3U
EC Number: 207-787-1
Nikkaji: J24.600J

物性

構造計算による物性

XLogP: 3.8
極性表面積: 12 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 15
形式電荷: 0
複雑度: 191

実験および物理化学的性質

Kovats Retention Index1931；1931；1931；1980；1931

物理化学的性質

融点: 105 · 105-108 °C (lit.)
沸点: 321.94 °C · 321.94°C (rough estimate)
比重(密度): 1.0778 · 1.0778 (rough estimate)
屈折率: 1.6353 · 1.6353 (estimate)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: クロロホルム（微量）、酢酸エチル（微量、加熱）、メタノール（微量）
外見: 結晶性粉末
酸解離定数(Pka): 0.83 · 0.83±0.20(Predicted)
色: 黄色からベージュ
BRN: 152732 · 152732
InChI: InChI=1S/C14H13N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-8,15H,9-10H2
InChIKey: ZSMRRZONCYIFNB-UHFFFAOYSA-N
SMILES: N1C2=CC=CC=C2CCC2=CC=CC=C12
LogP: 4.27 · 4.27
CAS データベース: 494 · 494-19-9(CAS DataBase Reference)
NISTの化学物質情報: 5 H-Dibenz[b,f]azepine, · 5H-Dibenz[b,f]azepine, 10,11-dihydro-(494-19-9)
EPAの化学物質情報: 5 H-Dibenz[b,f]azepine, · 5H-Dibenz[b,f]azepine, 10,11-dihydro- (494-19-9)

化学的性質

化学的特性YELLOWISH TO BEIGE CRYSTALLINE POWDER

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 1.5% (1 of 67) of reports.

Warning

H317 (37.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (62.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 67 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 67 reports by companies.；There are 6 notifications provided by 66 of 67 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 · 2 件

Status: Active Update: 31-01-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/21937；Status: Active Update: 29-07-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/1710

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

Hazard Classes and CategoriesSkin Sens. 1 (37.3%)；Eye Irrit. 2A (62.7%)

法規制情報

Regulatory Information · 2 件

Status: Active Update: 31-01-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/21937；Status: Active Update: 29-07-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/1710

5H-Dibenzb,fazepine, 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: HN8950000
hs_code: 29339930
risk_code: 36-36/37/38
化審法: (5)-3872
hazard_code: Xi
safety_code: 22-24/25-39-26-36/37/39-27
hazard_class: IRRITANT
Hazard Classifications: Skin Sens. 1
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing Information5H-Dibenz[b,f]azepine, 10,11-dihydro-: ACTIVE

応用分野 · 3 件

説明Iminodibenzyl was not a new drug. It had been discovered in 1898 and used briefly as an intermediate, in the preparation of Sky Blue, a dye stuff. Iminodibenzyl, however, had a tricyclic ring structure, similar in appearance to the phenothiazines. Iminodibenzyl is an important drug intermediate, which can be used for the medicine synthesis as a tristimania and epilepsia.

使用10,11-Dihydro-5H-dibenzo[b,f]azepine is a metabolite of the tricyclic antidepressant, Imipramine (I465980). 10,11-Dihydro-5H-dibenzo[b,f]azepine can be used as a chromogenic probe for the quantification of hydrogen peroxide and glucose.

一般的な説明Pharmaceutical secondary standards for application in quality control provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards