2-Methylanthrachinon

2-Methylanthraquinone

HCID 6773CAS 84-54-8
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Grundinformationen

Standard-SMILES
Cc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIKey
NJWGQARXZDRHCD-UHFFFAOYSA-N
Summenformel
C15H10O2
Durchschnittliche Molmasse
222,24 g/mol
Monoisotopische Masse
222,06807956

Namen und Bezeichner

Bevorzugter Name
2-Methylanthraquinone
IUPAC
2-methylanthracene-9,10-dione
Lokaler Name
2-Methylanthrachinon
Englischer Name
2-Methyl anthraquinone
Summenformel
C15H10O2
Molmasse
222.24

Namen und Synonyme

2-Methylanthraquinone84-54-8Tectoquinone2-methylanthracene-9,10-dionebeta-Methylanthraquinone2-Methyl-9,10-anthraquinone9,10-Anthracenedione, 2-methyl-2-methyl-9,10-anthracenedioneDTXSID5041439Q9P233HWAJNSC-607CHEBI:9427
Weitere Namen anzeigen
2-METHYL AQCH3C6H3COC6H4CO
DTXCID3021439RefChem:88253201-539-62-Methyl anthraquinoneTechtoquinoneTectochinonAnthraquinone, 2-methyl-2-Methylanthra-9,10-quinone

Datenbank-Bezeichner

CAS
84-54-8
PubChem CID
6773
DTXSID
DTXSID5041439
ChEMBL
CHEMBL21745
ChEBI
CHEBI:9427
UNII
Q9P233HWAJ
EC Number
201-539-6
Nikkaji
J4.896H

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,9
Polarare Oberfläche (TPSA)
34,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
0
Schwere Atome
17

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index · 2 Einträge

2035；2055；2092.1

350.1；352.7

Collision Cross Section145.3 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID5041439]

Physikochemische Eigenschaften

Schmelzpunkt
170 · 170-173 °C (lit.)
Siedepunkt
236 · 236-238 °C/10 mmHg (lit.)
Dichte
1.1404 · 1.1404 (rough estimate)
Dampfdruck
0 Pa · 0Pa at 25℃
Brechungsindex
1.66 · 1.6600 (estimate)
Flammpunkt
209 °C · 209 °C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H317 (28.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H400 (71.4%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (71.4%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 · 3 Einträge

Chemical: 9,10-Anthracenedione, 2-methyl-

Status: Active Update: 01-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/17757

9,10-Anthracenedione, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Sens. 1 (28.6%)；Aquatic Acute 1 (71.4%)；Aquatic Chronic 1 (71.4%)

Regulatorische Informationen

Regulatory Information · 3 Einträge

Chemical: 9,10-Anthracenedione, 2-methyl-

Status: Active Update: 01-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/17757

9,10-Anthracenedione, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN 3077 9/PG 3
hs_code
29146990
risk_code
51/53
hazard_code
Xi,N

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information9,10-Anthracenedione, 2-methyl-: ACTIVE

Anwendungen

BeschreibungDas 2-Methylanthrachinon bildet gelbe, wasserunlösliche Kristalle. Es wird zur Herstellung von diversen Anthrachinonfarbstoffen verwendet.

Verwenden2-Methylanthraquinone is used as a pharmaceutical intermediate. It is used in smog dyes.2-Methylanthraquinone may be used in the preparation of potential bioreducible anthraquinone derivatives.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: 2-methylanthraquinone is an anthraquinone that is 9,10-anthraquinone in which the hydrogen at position 2 is substituted by a methyl group. It derives from a 9,10-anthraquinone.

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