2-Chloroanthraquinone (HCID 8553)

Namen und Bezeichner

Bevorzugter Name: 2-Chloroanthraquinone
IUPAC: 2-chloroanthracene-9,10-dione
Lokaler Name: 2-Chloranthrachinon
Englischer Name: 2-Chloroanthraquinone
Summenformel: C14H7ClO2
Molmasse: 242.66

Namen und Synonyme

2-CHLOROANTHRAQUINONE131-09-99,10-Anthracenedione, 2-chloro-2-Chloro-9,10-anthraquinonebeta-Chloroanthraquinone2-Chloro-9,10-anthracenedioneDTXSID7049213.beta.-ChloroanthraquinoneAI3-00064NSC 1702EINECS 205-010-02-Chloroanthra-9,10-quinone

Weitere Namen anzeigen

2-CHLOROANTHRACENE-9,10-DIONENSC1702NSC-17022-chloro-92-CHLORO AQ'LGC' (2408)10-Anthracenedione2-Chloranthrachinon

DTXCID9029069betaChloroanthraquinoneAnthraquinone, 2chloroRefChem:864492Chloro9,10anthraquinone2Chloro9,10anthracenedione9,10Anthracenedione, 2chloro205-010-0

Datenbank-Bezeichner

CAS: 131-09-9
PubChem CID: 8553
DTXSID: DTXSID7049213
ChEMBL: CHEMBL3186676
UNII: 5ZD4DU5A9G
EC Number: 205-010-0
Nikkaji: J1.511C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4
Polarare Oberfläche (TPSA): 34,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 17
Formalladung: 0
Komplexität: 352

Experimentelle und physikochemische Eigenschaften

Physical DescriptionGrey or green powder; [Alfa Aesar MSDS]

Kovats Retention Index · 2 Einträge

2116.8

353；355.88；356；356.47

Physikochemische Eigenschaften

Schmelzpunkt: 209 · 209-211 °C (lit.)
Siedepunkt: 345.65 °C · 345.65°C (rough estimate)
Dichte: 1.2377 · 1.2377 (rough estimate)
Brechungsindex: 1.538 · 1.5380 (estimate)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
Farbe: White to Light orange to Yellow
Wasserlöslichkeit: insoluble
BRN: 2051842 · 2051842
Henry's Law Constant: 4.2 · 4.2×103 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChI: InChI=1S/C14H7ClO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H
InChIKey: FPKCTSIVDAWGFA-UHFFFAOYSA-N
SMILES: C1=C2C(C(=O)C3=C(C2=O)C=CC=C3)=CC=C1Cl
CAS Datenbank: 131 · 131-09-9(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2-Chloroanthraquinone(131-09-9)
EPA chemische Informationen: 9 · 9,10-Anthracenedione, 2-chloro- (131-09-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]；H311 (15.4%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H315 (98.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (82.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (15.4%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H332 (15.4%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (80.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H400 (15.4%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 5 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 · 2 Einträge

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

2-Chloroanthraquinone: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 Eintrag

Not irritating to skin or eyes of rabbits; A skin sensitizer in guinea pigs; [IUCLID] Causes impaired liver function tests, kidney changes, and erythrocyte count changes in 30-day intermittent oral studies of rats; [RTECS] A skin and strong eye irritant; Harmful by ingestion; [Alfa Aesar MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (25%)；Skin Irrit. 2 (98.1%)；Eye Irrit. 2 (82.7%)；STOT SE 3 (80.8%)

Toxikologische Informationen

Adverse Effects · 1 Eintrag

Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.；Skin Sensitizer - An agent that can induce an allergic reaction in the skin.

Regulatorische Informationen

Regulatory Information · 2 Einträge

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

2-Chloroanthraquinone: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

F: 10
wgk: 1
tsca: TSCA listed
hs_code: 29147090
RTECS-Nr.: CB6151000
risk_code: 36/37/38-43-36/37
hazard_code: Xi
safety_code: 26-36-37/39-24
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Skin Sens. 1

Chemie und Industrie

Verwendung und Herstellung

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

Anwendungen · 1 Eintrag

Verwenden2-Chloroanthraquinone is an important dye intermediate that can be used to make alizarin and aminoanthraquinone. This product has been evaluated as a photo-reagent for the analysis of ginsenosides using photoreduction fluorescence (PRF) detection method.

Darstellung

synthetische2-Chloroanthraquinone is prepared by condensing phthalic anhydride and chlorobenzene into p-chlorobenzoylbenzoic acid, and then cyclizing it with sulfuric acid.