2-(Chloromethyl)anthraquinone

HCID 344311CAS 6374-87-4

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Grundinformationen

Standard-SMILES: O=C1c2ccccc2C(=O)c2cc(CCl)ccc21
InChIKey: NVUYDKYMEMGYFP-UHFFFAOYSA-N
Summenformel: C15H9ClO2
Durchschnittliche Molmasse: 256,68 g/mol
Monoisotopische Masse: 256,0291072

Namen und Bezeichner

Bevorzugter Name: 2-(Chloromethyl)anthraquinone
IUPAC: 2-(chloromethyl)anthracene-9,10-dione
Englischer Name: 2-(Chloromethyl)anthraquinone
Summenformel: C15H9ClO2
Molmasse: 256.68

Namen und Synonyme

2-(Chloromethyl)anthraquinone6374-87-4DTXSID00322395RefChem:460354DTXCID40273514624-149-12-(chloromethyl)anthracene-9,10-dioneAnthraquinone, 2-(chloromethyl)-2-Chloromethyl-anthraquinone2-(chloromethyl)-9,10-dihydroanthracene-9,10-dioneSCHEMBL7076849,10-Anthracenedione, 2-(chloromethyl)-

Weitere Namen anzeigen

2-(Chloromethyl)anthraquinone 98%

MFCD002166122-chloromethylanthraquinoneBCP243632-chloromethyl anthraquinoneCHEMBL21780AKOS0159122-(Chloromethyl)anthraquinone, 98%AKOS015912628

Datenbank-Bezeichner

CAS: 6374-87-4
PubChem CID: 344311
DTXSID: DTXSID00322395
ChEMBL: CHEMBL21780
EC Number: 624-149-1
Nikkaji: J2.579.667E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4
Polarare Oberfläche (TPSA): 34,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 18
Formalladung: 0
Komplexität: 366

Physikochemische Eigenschaften

Schmelzpunkt: 166 · 166-169 °C (lit.)
Aggregatzustand: solid
BRN: 1975355 · 1975355
InChI: 1S/C15H9ClO2/c16-8-9-5-6-12-13(7-9)15(18)11-4-2-1-3-10(11)14(12)17/h1-7H,8H2
InChIKey: NVUYDKYMEMGYFP-UHFFFAOYSA-N
SMILES: ClCc1ccc2C(=O)c3ccccc3C(=O)c2c1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.；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

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 3261 8/PG 2
hs_code: 2914790090
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Skin Corr. 1B

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-(Chloromethyl)anthraquinone may be used in the following processes: Synthesis of 2-[methylamino-N-(1′-methyl-4′-N,N-diethylaminobutyl)]anthraquinone diphosphate. Synthesis of 2-(3,4-dicyano-phenyl)-2-(9,10-dioxo-9,10-dihydroantracen-2-yl-methyl)-malonic acid diethyl ester, starting reagent for the synthesis of tetra substituted metallophthalocyanines.To alter the glassy carbon (GC) electrode surface in order to investigate the oxygen reduction reaction (ORR) in alkaline medium.