9,10-Dihydroanthracen

9,10-Dihydroanthracene

HCID 11940CAS 613-31-0

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Grundinformationen

Standard-SMILES: c1ccc2c(c1)Cc1ccccc1C2
InChIKey: WPDAVTSOEQEGMS-UHFFFAOYSA-N
Summenformel: C14H12
Durchschnittliche Molmasse: 180,24 g/mol
Monoisotopische Masse: 180,09390038

Namen und Bezeichner

Bevorzugter Name: 9,10-Dihydroanthracene
IUPAC: 9,10-dihydroanthracene
Lokaler Name: 9,10-Dihydroanthracen
Englischer Name: 9,10-Dihydroanthracene
Summenformel: C14H12
Molmasse: 180.25

Namen und Synonyme

9,10-DIHYDROANTHRACENEAnthracene, 9,10-dihydro-Anthracene, dihydro-dihydroanthraceneZ142C238GBNSC 30805NSC-30805UNII-Z142C238GBDTXSID3075256AI3-09026EINECS 210-336-1Anthracene, dihydro

Weitere Namen anzeigen

Trofinetide Impurity 206-Methoxy-1-Tetralone99%9,10-Dihydroanthracene>9,10-Dihydroanthracene,99%9,10-Dihydroanthracene,90%,tech.9,10-DIHYDROANTHRACENE, TECHN. 90%9,10-DIHYDROANTHRACENE OEKANAL9,10-DIHYDROANTHRACENE, TECH., 85%

RefChem:107501Anthracene, 9,10dihydroDTXCID6042999210-336-1InChI=1/C14H12/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-8H,9-10HWPDAVTSOEQEGMS-UHFFFAOYSA-N613-31-09,10-Dihydro-anthracene

Datenbank-Bezeichner

CAS: 613-31-0
PubChem CID: 11940
DTXSID: DTXSID3075256
ChEMBL: CHEMBL125337
UNII: Z142C238GB
EC Number: 210-336-1
Nikkaji: J43.471J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,2
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 0
Schwere Atome: 14
Formalladung: 0
Komplexität: 154

Experimentelle und physikochemische Eigenschaften

PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons

SpringerMaterials PropertiesBoiling point

LogP4.25

Vapor Pressure0.00129 [mmHg]

Physical DescriptionSolid; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 103 · 103-107 °C (lit.)
Siedepunkt: 312 °C · 312 °C (lit.)
Dichte: 0.88 g/mL · 0.88 g/mL at 25 °C (lit.)
Brechungsindex: 1.6415 · 1.6415 (estimate)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
Farbe: White to Almost white
Wasserlöslichkeit: 1.332 mg/L · 1.332mg/L(24.59 ºC)
BRN: 1364575 · 1364575
Henry's Law Constant: 1.5 · 1.5×10-1 mol/(m3Pa) at 25℃, Schröder et al. (2010)
Stabilität: Stable. Combustible. Incompatible with strong oxidizing agents.
InChI: InChI=1S/C14H12/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-8H,9-10H2
InChIKey: WPDAVTSOEQEGMS-UHFFFAOYSA-N
SMILES: C1=C2C(CC3=C(C2)C=CC=C3)=CC=C1
CAS Datenbank: 613 · 613-31-0(CAS DataBase Reference)
EPA chemische Informationen: 9 · Anthracene, 9,10-dihydro- (613-31-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory InformationChemical: Anthracene, 9,10-dihydro-

Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS.

Hazard Classes and CategoriesAquatic Acute 1 (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 3077 9 / PGIII
hs_code: 2902.90.9000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 22-24/25-36/37-26
hazard_class: 9
packing_group: III
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Aquatic Acute 1

Chemie und Industrie

Anwendungen

Verwenden9,10-Dihydroanthracene(DHA) has been used in a study to assess the hydrogen abstraction capability of valence-delocalized iron complex with DHA in MeCN.