Flurenol

HCID 10087CAS 467-69-6

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Grundinformationen

Standard-SMILES: O=C(O)C1(O)c2ccccc2-c2ccccc21
InChIKey: GXAMYUGOODKVRM-UHFFFAOYSA-N
Summenformel: C14H10O3
Durchschnittliche Molmasse: 226,23 g/mol
Monoisotopische Masse: 226,06299418

Namen und Bezeichner

Bevorzugter Name: Flurenol
IUPAC: 9-hydroxyfluorene-9-carboxylic acid
Lokaler Name: Flurenol
Englischer Name: 9-Hydroxy-9-fluorenecarboxylic acid
Summenformel: C14H10O3
Molmasse: 226.23

Namen und Synonyme

Flurenol467-69-69-Hydroxyfluorene-9-carboxylic acidFlurecol4TKT65AM8PNSC-97576RefChem:1085462207-397-154FU8JOO5Q9H-Fluorene-9-carboxylic acid, 9-hydroxy-, butyl esterButyl flurenolButyl morphactin

Weitere Namen anzeigen

FLURENOL PESTANALflurenol (bsi,iso)Flurecol [BSI:ISO]9-Hydroxy-9-fluorene9-hydroxy-fluorene-9-acidFlurenol Solution, 100ppmflurecol (bsi before 1990)

Fluorene-9-carboxylic acid, 9-hydroxy-, butyl ester9-Hydroxy-9-fluorenecarboxylic acid9-Hydroxy-9H-fluorene-9-carboxylic acid9H-Fluorene-9-carboxylic acid, 9-hydroxy-Glycolic acid, diphenylene-Flurenol [ISO]188853-09-0NSC 97576

Datenbank-Bezeichner

CAS: 467-69-6
PubChem CID: 10087
DTXSID: DTXSID0075029
ChEMBL: CHEMBL1452438
ChEBI: CHEBI:82015
UNII: 4TKT65AM8P
EC Number: 207-397-1
Nikkaji: J1.537G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 57,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 17
Formalladung: 0
Komplexität: 303

Physikochemische Eigenschaften

Schmelzpunkt: 162 · 162-166 °C (lit.)
BRN: 1314711 · 1314711
InChI: 1S/C14H10O3/c15-13(16)14(17)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8,17H,(H,15,16)
InChIKey: GXAMYUGOODKVRM-UHFFFAOYSA-N
SMILES: OC(=O)C1(O)c2ccccc2-c3ccccc13
CAS Datenbank: 467 · 467-69-6(CAS DataBase Reference)
EPA chemische Informationen: Flurenol (467-69-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Gefahrenhinweise

Regulatory Information · 2 Einträge

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

2004/129/EC

Hazard Classes and Categories · 3 Einträge

Aquatic Chronic 2 (100%)

Hazardous to the aquatic environment (chronic) - category 2

Aquatic Chronic 2

Regulatorische Informationen

Regulatory Information · 2 Einträge

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

2004/129/EC

Sicherheitsdaten

wgk: 2
tsca: TSCA listed
ridadr: UN 3082 9/PG 3
hs_code: 29181990
RTECS-Nr.: LL6480000
risk_code: 51/53-36/37/38
Toxizität: mouse,LD50,oral,> 5gm/kg (5000mg/kg),Pesticide Manual. Vol. 9, Pg. 417, 1991.
hazard_code: N,Xi
safety_code: 61-36/37/39-27-26
hazard_class: 9
packing_group: III
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Aquatic Chronic 2