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Safety Information

D104981

Sigma-Aldrich

Dibenzosuberone

98%

Synonym(s):

5-Dibenzosuberone, 10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-one, Dibenzocycloheptadienone

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About This Item

Empirical Formula (Hill Notation):
C15H12O
CAS Number:
1210-35-1
Molecular Weight:
208.26
Beilstein:
1454355
EC Number:
214-912-3
MDL number:
MFCD00003587
UNSPSC Code:
12352100
PubChem Substance ID:
24893335

Assay

98%

refractive index

n20/D 1.6332 (lit.)

bp

148 °C/0.3 mmHg (lit.)

mp

32-34 °C (lit.)

density

1.156 g/mL at 25 °C (lit.)

SMILES string

O=C1c2ccccc2CCc3ccccc13

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

InChI key

BMVWCPGVLSILMU-UHFFFAOYSA-N

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Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

D104981-25G:
D104981-100G:
D104981-BULK:
D104981-VAR:

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Certificates of Analysis (COA)

Lot/Batch Number
STBB6281V
STBB6281
S79601
06929EJ
S47228

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Solveigh C Koeberle et al.
Journal of medicinal chemistry, 55(12), 5868-5877 (2012-06-09)
Synthesis, biological testing, structure-activity relationships (SARs), and selectivity of novel disubstituted dibenzosuberone derivatives as p38 MAP kinase inhibitors are described. Hydrophilic moieties were introduced at the 7-, 8-, and 9-position of the 2-phenylamino-dibenzosuberones, improving physicochemical properties as well as potency.
Stefan Fischer et al.
Journal of medicinal chemistry, 56(1), 241-253 (2012-12-29)
p38α mitogen-activated protein (MAP) kinase is a main target in drug research concerning inflammatory diseases. Nevertheless, no inhibitor of p38α MAP kinase has been introduced to the market. This might be attributed to the fact that there is no inhibitor
S P Dixon et al.
Pharmeuropa scientific notes, 2005(1), 15-20 (2007-08-11)
An isocratic reversed-phase liquid chromatographic method is described using a hybrid column for the control of synthetic impurities potentially found in amitriptyline hydrochloride. The method has been validated and is capable of controlling impurities to 0.1 per cent.
Sonja Merkas et al.
Molecules (Basel, Switzerland), 10(12), 1429-1437 (2007-11-17)
Novel representatives of the important group of biologically active dibenzosuberone derivatives were prepared: 3,7-dibromo-5-(dimethylaminoethyl- oxyimino)-10,11-dihydro-5H-dibenzo[a,d]cyclohepta-1,4-diene (1), 3,7-dibromo-5-(3- dimethylaminopropylidene)-10,11-dihydro-5H-dibenzo[a,d]cycloheptene (2) and 1,7- dibromo-5-(3-dimethylaminopropylidene)-10,11-dihydro-5H-dibenzo-[a,d]-cycloheptene (3). These compounds are potential tricyclic antidepressants (TCAs), which are still the most frequently prescribed antidepressants in many
S Zbaida et al.
Biopharmaceutics & drug disposition, 11(1), 39-51 (1990-01-01)
Reactions of trans-stilbene, cis-stilbene, 5H-dibenzo [a,d] cyclo-heptene 5-one and 5H-dibenz [b,f] azepine (iminostilbene) with Fenton reagent [Fe (II)/H2O2] clearly simulate their hepatic metabolism. Expoxidation on the corresponding ethylenic linkage was found to be a common pathway of these compounds. Epoxides

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