CAS 42523-29-5 2,7-Dihydroxyfluoren-9-one (HCID 4354181)

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Basic information

CAS: 42523-29-5
Standard SMILES: O=C1c2cc(O)ccc2-c2ccc(O)cc21
InChIKey: CWHPQXRTQSNTRR-UHFFFAOYSA-N
Molecular formula: C13H8O3
Average molar mass: 212.2 g/mol
Monoisotopic mass: 212.04734412

Names & identifiers

Preferred name: 2,7-Dihydroxyfluoren-9-one
IUPAC: 2,7-dihydroxyfluoren-9-one
English name: 2,7-Dihydroxy-9-fluorenone
Molecular formula: C13H8O3
Molecular weight: 212.2

Names & synonyms

42523-29-52,7-dihydroxyfluoren-9-oneRefChem:445972610-035-92,7-Dihydroxy-9-fluorenone2,7-dihydroxy-9H-fluoren-9-one2,7-DihydroxyfluorenoneMFCD000371412,7-dihydroxy-fluoren-9-oneChemDivAM_000848Oprea1_047542Compound 0356-0002

Show more names

2,7-Dihydroxy-9H-fluoren-9-on2,7-Dihydroxy-9-fluo7-Dihydroxy-9-fluorenone2,7-Dihydroxy-9-Fluorene2,7-Dihydroxyl-9-Fluorenone2,7- Dihydroxy florene-9-one

AKOS003625057AS-14445Z14643580232,7-fluorenonediolChemDiv1_019145SCHEMBL539276CHEMBL491290SCHEMBL29486239

Database identifiers

CAS: 42523-29-5
PubChem CID: 4354181
DTXSID: DTXSID60402283
ChEMBL: CHEMBL491290
EC Number: 610-035-9
Nikkaji: J89.472I

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 57.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 16
Formal charge: 0
Complexity: 274

Physicochemical properties

Melting point: 338 °C · 338 °C
Boiling point: 444.5 · 444.5±20.0 °C(Predicted)
Density: 1.497 · 1.497±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: powder to crystal
pka: 8.87 · 8.87±0.20(Predicted)
color: Light yellow to Brown
InChI: InChI=1S/C13H8O3/c14-7-1-3-9-10-4-2-8(15)6-12(10)13(16)11(9)5-7/h1-6,14-15H
InChIKey: CWHPQXRTQSNTRR-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=CC(O)=C2)C2=C1C=C(O)C=C2
CAS DataBase Reference: 42523 · 42523-29-5(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 22.2% (2 of 9) of reports.

Danger

H301 (11.1%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 03-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22383

Hazard Classes and CategoriesAcute Tox. 4 (22.2%)

Safety data

hs_code: 2914.50.3000
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
REACH Registrations: Active
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362