10,11-Dihydro-5H-dibenz[b,f]azepin

Iminodibenyl

HCID 10308CAS 494-19-9
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Grundinformationen

Standard-SMILES
c1ccc2c(c1)CCc1ccccc1N2
InChIKey
ZSMRRZONCYIFNB-UHFFFAOYSA-N
Summenformel
C14H13N
Durchschnittliche Molmasse
195,26 g/mol
Monoisotopische Masse
195,10479942

Namen und Bezeichner

Bevorzugter Name
Iminodibenyl
IUPAC
6,11-dihydro-5H-benzo[b][1]benzazepine
Lokaler Name
10,11-Dihydro-5H-dibenz[b,f]azepin
Englischer Name
Iminodibenzyl
Summenformel
C14H13N
Molmasse
195.26

Namen und Synonyme

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
Weitere Namen anzeigen
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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,8
Polarare Oberfläche (TPSA)
12 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
0
Schwere Atome
15

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index1931；1931；1931；1980；1931

Physikochemische Eigenschaften

Schmelzpunkt
105 · 105-108 °C (lit.)
Siedepunkt
321.94 °C · 321.94°C (rough estimate)
Dichte
1.0778 · 1.0778 (rough estimate)
Brechungsindex
1.6353 · 1.6353 (estimate)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit
Chloroform (Slightly), Ethyl Acetate (Slightly, Heated), Methanol (Slightly)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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.

Gefahrenhinweise

Regulatory Information · 2 Einträge

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%)

Regulatorische Informationen

Regulatory Information · 2 Einträge

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

Sicherheitsdaten

wgk
3
tsca
TSCA listed
hs_code
29339930
RTECS-Nr.
HN8950000
risk_code
36-36/37/38
hazard_code
Xi

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information5H-Dibenz[b,f]azepine, 10,11-dihydro-: ACTIVE
Anwendungen · 2 Einträge

BeschreibungIminodibenzyl 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.

Verwenden10,11-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.

Darstellung

synthetischeIminodibenzyl is obtained from o-nitrotoluene by condensation, reduction and cyclization.

Vor- und nachgelagerte Produkte

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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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

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