Iminodibenyl

HCID 10308CAS 494-19-9
Substructure searchFind similar structures

Basic information

Standard SMILES
c1ccc2c(c1)CCc1ccccc1N2
InChIKey
ZSMRRZONCYIFNB-UHFFFAOYSA-N
Molecular formula
C14H13N
Average molar mass
195.26 g/mol
Monoisotopic mass
195.10479942

Names & identifiers

Preferred name
Iminodibenyl
IUPAC
6,11-dihydro-5H-benzo[b][1]benzazepine
English name
Iminodibenzyl
Molecular formula
C14H13N
Molecular weight
195.26

Names & synonyms

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
Show more names
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

Database identifiers

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

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
12 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
15

Experimental & physicochemical properties

Kovats Retention Index1931；1931；1931；1980；1931

Physicochemical properties

Melting point
105 · 105-108 °C (lit.)
Boiling point
321.94 °C · 321.94°C (rough estimate)
Density
1.0778 · 1.0778 (rough estimate)
refractive index
1.6353 · 1.6353 (estimate)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
solubility
Chloroform (Slightly), Ethyl Acetate (Slightly, Heated), Methanol (Slightly)

Safety & regulation

GHS classification

GHS Classification · 6 items

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.

Hazard information

Regulatory Information · 2 items

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%)

Regulatory information

Regulatory Information · 2 items

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

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
tsca
TSCA listed
rtecs
HN8950000
hs_code
29339930
risk_code
36-36/37/38

Chemistry & industry

Uses & manufacturing

General Manufacturing Information5H-Dibenz[b,f]azepine, 10,11-dihydro-: ACTIVE
Applications · 4 items

DescriptionIminodibenzyl 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.

Uses10,11-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.

UsesThese Secondary Standards are qualified as Certified Reference Materials. These are suitable for use in several analytical applications including but not limited to pharma release testing, pharma method development for qualitative and quantitative analyses, food and beverage quality control testing, and other calibration requirements.

General DescriptionPharmaceutical 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

Preparation methods

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

Upstream & downstream products

Suppliers50 total

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]

Related reactions

27 records
New reaction record

Linked notes

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