9-(Chlormethyl)anthracen

9-(Chloromethyl)anthracene

HCID 32385CAS 24463-19-2

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Grundinformationen

Standard-SMILES: ClCc1c2ccccc2cc2ccccc12
InChIKey: PCVRSXXPGXRVEZ-UHFFFAOYSA-N
Summenformel: C15H11Cl
Durchschnittliche Molmasse: 226,7 g/mol
Monoisotopische Masse: 226,05492803

Namen und Bezeichner

Bevorzugter Name: 9-(Chloromethyl)anthracene
IUPAC: 9-(chloromethyl)anthracene
Lokaler Name: 9-(Chlormethyl)anthracen
Englischer Name: 9-(Chloromethyl)anthracene
Summenformel: C15H11Cl
Molmasse: 226.7

Namen und Synonyme

9-(Chloromethyl)anthracene24463-19-29-ChloromethylanthraceneAnthracene, 9-(chloromethyl)-8C4ZDD4KUVANTHRACENE, 9-CHLOROMETHYL-NSC-241165DTXSID00179220RefChem:107700DTXCID30101711246-274-79-Anthracenylmethyl chloride

Weitere Namen anzeigen

icr4489-Chlormethyl-anthracen9-chloromethyl-anthracen9-(choromethyl)anthracene9-(chloroMethyl)antracene(9-Anthrylmethyl) chloride(9-Anthryl)methyl chloride

C15H11ClMFCD00001263ICR 4489-ChloromethyanthraceneCCRIS 7993EINECS 246-274-79-chloromethyl-anthraceneNSC 241165

Datenbank-Bezeichner

CAS: 24463-19-2
PubChem CID: 32385
DTXSID: DTXSID00179220
ChEMBL: CHEMBL1446266
UNII: 8C4ZDD4KUV
EC Number: 246-274-7
Nikkaji: J3.795H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 5,1
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 1
Schwere Atome: 16
Formalladung: 0
Komplexität: 216

Physikochemische Eigenschaften

Schmelzpunkt: 138 · 138-140 °C (lit.)
Siedepunkt: 294.66 °C · 294.66°C (rough estimate)
Dichte: 1.151 · 1.1510 (rough estimate)
Brechungsindex: 1.6281 · 1.6281 (estimate)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Löslichkeit: chloroform: soluble
Aggregatzustand: Powder
Farbe: Yellow
Wasserlöslichkeit: Soluble in chloroform. Insoluble in water.
BRN: 1873394 · 1873394
InChI: InChI=1S/C15H11Cl/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9H,10H2
InChIKey: PCVRSXXPGXRVEZ-UHFFFAOYSA-N
SMILES: C1=C2C(C=C3C(=C2CCl)C=CC=C3)=CC=C1
CAS Datenbank: 24463 · 24463-19-2(CAS DataBase Reference)
NIST chemische Informationen: 9 · 9-(Chloromethyl)anthracene(24463-19-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (16.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationAnthracene, 9-(chloromethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1B (16.7%)

Sicherheitsdaten

F: 19
wgk: 3
ridadr: UN 3261 8/PG 2
hs_code: 29039990
RTECS-Nr.: CA9600000
risk_code: 36/37/38
Toxizität: mouse,LDLo,intravenous,2267ug/kg (2.267mg/kg),Cancer Research. Vol. 36, Pg. 2423, 1976.
hazard_code: Xi
safety_code: 26-36
hazard_class: 8
packing_group: III
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden9-(Chloromethyl)anthracene is used as a blocking group reagent used for carboxylic acids, phenols, mercaptans and thiophenols. It is a derivatizing agent for carboxylic acids giving esters with enhanced UV and fluorescence detection in HPLC.