2-Hydroxycyclohepta-2,4,6-trienon

Tropolone

HCID 10789CAS 533-75-5
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Grundinformationen

Standard-SMILES
O=c1cccccc1O
InChIKey
MDYOLVRUBBJPFM-UHFFFAOYSA-N
Summenformel
C7H6O2
Durchschnittliche Molmasse
122,12 g/mol
Monoisotopische Masse
122,03677943

Namen und Bezeichner

Bevorzugter Name
Tropolone
IUPAC
2-hydroxycyclohepta-2,4,6-trien-1-one
Lokaler Name
2-Hydroxycyclohepta-2,4,6-trienon
Englischer Name
Tropolone
Summenformel
C7H6O2
Molmasse
122.12

Namen und Synonyme

Tropolone533-75-52-Hydroxycyclohepta-2,4,6-trienonePurpurocatechol2-Hydroxytropone2,4,6-Cycloheptatrien-1-one, 2-hydroxy-DTXSID80494167L6DL16P1TNSC-89303DTXCID7029376CHEBI:79966RefChem:389350
Weitere Namen anzeigen
TropoLSKL248a-TropoloneTropolone 98%
208-577-22-hydroxycyclohepta-2,4,6-trien-1-one2-Hydroxy-2,4,6-cycloheptatrien-1-one2-Hydroxy-2,4,6-cycloheptatrienoneMFCD00004158CCRIS 6609NSC89303SCHEMBL42739

Datenbank-Bezeichner

CAS
533-75-5
PubChem CID
10789
DTXSID
DTXSID8049416
ChEMBL
CHEMBL121188
ChEBI
CHEBI:79966
UNII
7L6DL16P1T
EC Number
208-577-2
Nikkaji
J44.110D

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,5
Polarare Oberfläche (TPSA)
37,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
0
Schwere Atome
9

Experimentelle und physikochemische Eigenschaften

Vapor Pressure0.000679 [mmHg]
Physical DescriptionColorless solid; [Merck Index] Light yellow to cream hygroscopic solid; [Acros Organics MSDS]
Kovats Retention Index2003

Physikochemische Eigenschaften

Schmelzpunkt
50 · 50-52 °C (lit.)
Siedepunkt
80 · 80-84 °C/0.1 mmHg (lit.)
Dichte
1.1483 · 1.1483 (rough estimate)
Dampfdruck
3.4 Pa · 3.4Pa at 25℃
Brechungsindex
1.5286 · 1.5286 (estimate)
Flammpunkt
230 °F · >230 °F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 10% (2 of 20) of reports.

Danger

H314 (85%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H317 (85%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (85%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H400 (85%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (85%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P260, P261, P264, P264+P265, P272, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P333+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 20 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 2 of 20 reports by companies.；There are 2 notifications provided by 18 of 20 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.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: Active Update: 18-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24770；Status: Active Update: 07-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21361

2,4,6-Cycloheptatrien-1-one, 2-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCauses convulsions and rigidity (including catalepsy) in intraperitoneal lethal-dose studies of mice and rats; [RTECS] May cause irritation; [Acros Organics MSDS]
Hazard Classes and CategoriesSkin Corr. 1B (85%)；Skin Sens. 1B (85%)；Eye Dam. 1 (85%)；Aquatic Acute 1 (85%)；Aquatic Chronic 1 (85%)

Regulatorische Informationen

Regulatory Information · 2 Einträge

Status: Active Update: 18-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24770；Status: Active Update: 07-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21361

2,4,6-Cycloheptatrien-1-one, 2-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

F
8-10-23
wgk
3
hs_code
29144090
RTECS-Nr.
GU4075000
risk_code
22-36/37/38-37/38-41
hazard_code
Xi

Chemie und Industrie

Verwendung und Herstellung

UsesA natural antibiotic; The seven-carbon ring structure is a prototype for a group of natural bioactive products known as tropolonoids; Used as a ligand for cell radiolabeling; [Merck Index]
Household ProductsInformation on 1 consumer products that contain Tropolone in the following categories is provided:；• Personal Care

Anwendungen

VerwendenTropolone is a sensitive reagent for reducing sugars. A non-benzenoid aromatic compound, Reagent for the preparation of fused heterocycles and complexes of Ga(III) and In(III).

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]

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