CAS 1210-35-1 Dibenzosuberone (HCID 14589)

Names & identifiers

Preferred name: Dibenzosuberone
IUPAC: tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one
English name: Dibenzosuberone
Molecular formula: C15H12O
Molecular weight: 208.26

Names & synonyms

Dibenzosuberone1210-35-1DibenzocycloheptenoneDibenzosuberan-5-oneDibenzsuberone2,3:6,7-Dibenzosuberone5H-Dibenzo[a,d]cyclohepten-5-one, 10,11-dihydro-Dibenzo(a,d)cycloheptadien-5-one10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-oneDibenzo[a,d]cycloheptadien-5-oneDTXSID4049400Dibenzo(a,d)cyclohepta(1,4)dien-5-one

Show more names

10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-onedienone5-DIBENZOSUBERONEDibenzocycloheptanoneDDCONSC 49727DibezosuberoneDIBENZOSUBERONE98%

10,11-Dihydrodibenzo(a,d)cyclohepten-5-one8ETK71TH0H5H-Dibenzo(a,d)cyclohepten-5-one, 10,11-dihydro-10,11-DIHYDRO-5H-DIBENZO(A,D)CYCLOHEPTEN-5-ONENSC-49727DTXCID4029359Dibenzo[a,d]cyclohepta[1,4]dien-5-one10,11-Dihydrodibenzo[a,d]cyclohepten-5-one

Database identifiers

CAS: 1210-35-1
PubChem CID: 14589
DTXSID: DTXSID4049400
ChEMBL: CHEMBL1905787
UNII: 8ETK71TH0H
EC Number: 214-912-3
Nikkaji: J149.830D

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 16
Formal charge: 0
Complexity: 245

Physicochemical properties

Melting point: 32 · 32-34 °C(lit.)
Boiling point: 148 °C0.3 · 148 °C0.3 mm Hg(lit.)
Density: 1.156 g/mL · 1.156 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.6332(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 30 °C · Store below +30°C.
solubility: 0.03 g/l · 0.03g/l
form: Liquid or Low Melting Solid
color: Clear yellow
Water Solubility: insoluble
BRN: 1454355 · 1454355
Major Application: pharmaceuticalpharmaceutical small molecule
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
InChIKey: BMVWCPGVLSILMU-UHFFFAOYSA-N
SMILES: O=C1c2ccccc2CCc3ccccc13
LogP: 3.855 · 3.855 (est)
CAS DataBase Reference: 1210 · 1210-35-1(CAS DataBase Reference)
FDA UNII: 8 ETK71TH0H · 8ETK71TH0H
NIST Chemistry Reference: 5 H-Dibenzo[a,d]cyclohepten-5-one, · 5H-Dibenzo[a,d]cyclohepten-5-one, 10,11-dihydro-(1210-35-1)
EPA Substance Registry System: 5 H-Dibenzo[a,d]cyclohepten-5-one, · 5H-Dibenzo[a,d]cyclohepten-5-one, 10,11-dihydro- (1210-35-1)
UNSPSC Code: 41116107 · 41116107
NACRES: 24 · NA.24
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280i-P305+P351+P338-P337+P313
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 24 · 24/25-36-26
WGK Germany: 3 · 3
RTECS: 1149700 · HP1149700
TSCA: TSCA listed
HS Code: 29143900 · 29143900
Storage Class: 11 · 11 - Combustible Solids
Toxicity: 50 orally · LD50 orally in Rabbit: 2511 mg/kg LD50 dermal Rat > 2000 mg/kg
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 85.1% (63 of 74) of all reports.

Warning

H319 (13.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 74 reports by companies from 6 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 63 of 74 reports by companies.；There are 4 notifications provided by 11 of 74 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 · 3 items

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

Status: Active Update: 07-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/18967

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

Hazard Classes and CategoriesEye Irrit. 2 (13.5%)

Regulatory information

Regulatory Information · 3 items

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

Status: Active Update: 07-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/18967

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

Safety data

wgk: 3
tsca: TSCA listed
rtecs: HP1149700
hs_code: 29143900
Toxicity: LD50 orally in Rabbit: 2511 mg/kg LD50 dermal Rat > 2000 mg/kg
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 24/25-36-26
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319
REACH Registrations: Active
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280i-P305+P351+P338-P337+P313