Grundinformationen
- Standard-SMILES
Cc1c2ccccc2cc2ccccc12- InChIKey
CPGPAVAKSZHMBP-UHFFFAOYSA-N- Summenformel
- C15H12
- Durchschnittliche Molmasse
- 192,25 g/mol
- Monoisotopische Masse
- 192,09390038
Namen und Bezeichner
- Bevorzugter Name
- 9-Methylanthracene
- IUPAC
- 9-methylanthracene
- Lokaler Name
- 9-Methylanthracen
- Englischer Name
- 9-Methylanthracene
- Summenformel
- C15H12
- Molmasse
- 192.26
Namen und Synonyme
9-METHYLANTHRACENE779-02-2Anthracene, 9-methyl-65NK4CIN03DTXSID3061134NSC-400540RefChem:108016DTXCID2048080212-299-7MFCD00001261CCRIS 27409-methyl anthracene
Weitere Namen anzeigen
9-MethylanthraMethylantracene9-methyl-anthracenRARECHEM AQ BD 0AN1anthracene,9-methyl-9-Methylanthracene>9-Methylanthracene,99%9-Methylanthracene ,98%Trofinetide Impurity 25
9-methyl-anthracene9-Methylanthracene, 98%AKOS015842090CS-W0107029-Methylanthracene, analytical standardM0153F19679Q18467085
Datenbank-Bezeichner
- CAS
779-02-2- PubChem CID
- 13068
- DTXSID
DTXSID3061134- ChEMBL
CHEMBL1797294- UNII
- 65NK4CIN03
- EC Number
- 212-299-7
- Nikkaji
- J3.327H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,1
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 198
Experimentelle und physikochemische Eigenschaften
PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP4.96
Vapor Pressure0.0000501 [mmHg]
Physical DescriptionYellow crystals; [Sigma-Aldrich MSDS]
Collision Cross Section134.8 Ų [M*]+
Physikochemische Eigenschaften
- Schmelzpunkt
- 77 · 77-79 °C (lit.)
- Siedepunkt
- 196 · 196-197 °C/12 mmHg (lit.)
- Dichte
- 1.066 g/mL · 1.066 g/mL at 25 °C (lit.)
- Brechungsindex
- 1.6959 · 1.6959
- Flammpunkt
- 196 · 196-197°C/12mm
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 0.0003 mg/l · 0.0003mg/l
- Aggregatzustand
- Crystals or Crystalline Powder
- Wichte
- 1.066 · 1.066
- Farbe
- Yellow to orange
- Wasserlöslichkeit
- Soluble in water (0,0003 mg/L at 25°C) and toluene. Slightly soluble in benzene.
- BRN
- 1907463 · 1907463
- Henry's Law Constant
- 2.5 · 2.5×10-1 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
- Stabilität
- Stable. Combustible. Incompatible with strong oxidizing agents.
- Major Application
- environmental
- InChI
- 1S/C15H12/c1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13/h2-10H,1H3
- InChIKey
- CPGPAVAKSZHMBP-UHFFFAOYSA-N
- SMILES
- Cc1c2ccccc2cc3ccccc13
- CAS Datenbank
- 779 · 779-02-2(CAS DataBase Reference)
- EPA chemische Informationen
- 9 · 9-Methylanthracene (779-02-2)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 6.1% (3 of 49) of reports.
Danger
H302 (79.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Anthracene, 9-methyl-
Anthracene, 9-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant that may cause serious eye injury; Harmful by ingestion; [Sigma-Aldrich MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS.
Hazard Classes and CategoriesAcute Tox. 4 (79.6%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3077 9/PG 3
- hs_code
- 2902 90 00
- RTECS-Nr.
- CB0700000
- risk_code
- 22-41-50/53
- hazard_code
- Xn,N
- safety_code
- 26-39-60-61
- hazard_class
- 9
- packing_group
- III
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationAnthracene, 9-methyl-: ACTIVE
Anwendungen
Verwenden9-Methylanthracene used as a Intermediates for pharmaceutical and chemical research.
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