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Dibenzosuberone

Dibenzosuberone structure

CAS No:
1210-35-1
Formula:
C15H12O
Chemical Name:
Dibenzosuberone
Synonyms:
5H-Dibenzo[a,d]cyclohepten-5-one,10,11-dihydro-;10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-one;Dibenzosuberone;Dibenzocycloheptenone;Dibenzo[a,d]cycloheptadien-5-one;Dibenzo[a,d]cyclohepta[1,4]dien-5-one;10,11-Dihydrodibenzo[a,d]cyclohepten-5-one;10,11-Dihydro-5H-dibenzo[a,d]cycloheptan-5-one;2,3:6,7-Dibenzosuberone;Dibenzosuberan-5-one;10,11-Dihydro-5H-dibenzo[a,d]cycloheptatrien-5-one;NSC 49727;10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-one
Categories:
Analytical Chemistry > Standard

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Description

Clear yellow liquid or low melting solid

Dibenzosuberone Basic Attributes

Molecular Weight：

208.26

Exact Mass：

208.26

BRN：

1454355

EC Number：

214-912-3

UNII：

8ETK71TH0H

NSC Number：

49727

DSSTox ID：

DTXSID4049400

HScode：

29143900

Characteristics

PSA：

17.1

XLogP3：

4.45

Appearance：

Clear yellow Liquid or Low Melting Solid

Density：

1.1635 g/cm³ @ Temp: 20 °C

Melting Point：

30 °C

Boiling Point：

203-204 °C @ Press: 7 Torr

Flash Point：

>230 °F

Refractive Index：

n 20/D 1.6332(lit.)

Water Solubility：

H2O: insoluble

Storage Conditions：

Store below +30°C.

Toxicity：

LD50 orally in Rabbit: 2511 mg/kg LD50 dermal Rat > 2000 mg/kg

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

24/25-36-26

RTECS Number：

HP1149700

Marks：

Precautionary statement(s)：

P264, P270, P273, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P391, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H315 (36.36%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 74 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

dibenzocycloheptanone

Dibenzosuberone Use and Manufacturing

Methods of Manufacturing

From o-β-phenethyl benzoic acid by cyclization.

Uses

Amitriptyline (A633350) impurity, a potential antidepressant compound.

Manufacturing Info：

5H-Dibenzo[a,d]cyclohepten-5-one, 10,11-dihydro-: ACTIVE

Computed Properties

Molecular Weight:208.25
XLogP3:4
Hydrogen Bond Acceptor Count:1
Exact Mass:208.088815002
Monoisotopic Mass:208.088815002
Topological Polar Surface Area:17.1
Heavy Atom Count:16
Complexity:245
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 1210-35-1

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