Cannabinol

HCID 2543

Grundinformationen

CAS
521-35-7
Standard-SMILES
CCCCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2
InChIKey
VBGLYOIFKLUMQG-UHFFFAOYSA-N
Summenformel
C21H26O2
Durchschnittliche Molmasse
310,4 g/mol
Monoisotopische Masse
310,19328007

Überblick

Leaflets. (NTP, 1992)

Namen und Bezeichner

Bevorzugter Name
Cannabinol
IUPAC
6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol
Englischer Name
CANNABINOL
Summenformel
C21H26O2
Molmasse
310.43

Namen und Synonyme

cannabinol521-35-7CannabinoloCannabinolumDTXSID30489966,6,9-Trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-ol7UYP6MC9GH6,6,9-Trimethyl-3-pentyl-6H-dibenzo(b,d)pyran-1-ol3-Amyl-1-hydroxy-6,6,9-trimethyl-6H-dibenzo(b,d)pyran6H-Dibenzo(b,d)pyran-1-ol, 6,6,9-trimethyl-3-pentyl-6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-olNSC-134455
Weitere Namen anzeigen
CBNNSC 134455Cannabinol (CRM)cannabinol solutioncannabinolmethanolsolutionCannabinol (Alt. Batch CRM)Cannabinol, 1mg/ml in MethanolMethanol(test Cannabinol, 1.0 mg/mL)
3-Amyl-1-hydroxy-6,6,9-trimethyl-6H-dibenzo[b,d]pyran6H-Dibenzo[b,d]pyran-1-ol, 6,6,9-trimethyl-3-pentyl-DTXCID3028922NSC1344556,6,9-trimethyl-3-pentylbenzo(c)chromen-1-olRefChem:388855Cannabinolo [DCIT]Cannabinol (CBN)

Datenbank-Bezeichner

CAS
521-35-7
PubChem CID
2543
DTXSID
DTXSID3048996
ChEMBL
CHEMBL74415
ChEBI
CHEBI:3360
UNII
7UYP6MC9GH
EC Number
689-788-0
Nikkaji
J6.613C

Eigenschaften

Berechnete Struktureigenschaften

XLogP
6,1
Polarare Oberfläche (TPSA)
29,5 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
4
Schwere Atome
23

Experimentelle und physikochemische Eigenschaften

Chemical ClassesStimulant
Drugs · 2 Einträge

DEA NFLIS-Drug Category -> Cannabinoids

Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds

LipidsPolyketides [PK] -> Aromatic polyketides [PK13] -> Other aromatic polyketides [PK1312]
Human DrugsPharmaceuticals
Boiling Point365 °F at 0.05 mmHg (NTP, 1992)
Melting Point169 to 171 °F (NTP, 1992)

Physikochemische Eigenschaften

Schmelzpunkt
76 · 76-77°
Siedepunkt
0.05 · bp0.05 185°
Dichte
1.0865 · 1.0865 (rough estimate)
Brechungsindex
1.49 · 1.4900 (estimate)
Flammpunkt
11 °C · 11 °C
storage temp.
2 · 2-8°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 16.7% (1 of 6) of reports.

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Fire HazardsFlash point data for this chemical are not available, but it is probably combustible. (NTP, 1992)
Reactive GroupAlcohols and Polyols
Reactivity Profile · 1 Eintrag

CANNABINOL is an alcohol. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides.

Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Hazard Classes and CategoriesAcute Tox. 4 (66.7%)

Sicherheit und Schutzausrüstung

Fire FightingFires involving this compound should be controlled with dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 Eintrag

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 Eintrag

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, you should dampen the solid spill material with alcohol, then transfer the dampened material to a suitable container. Use absorbent paper dampened with alcohol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1 Eintrag

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Sicherheitsdaten

wgk
1
ridadr
UN 1230 3/PG 2
RTECS-Nr.
HP8575000
risk_code
11-23/24/25-39/23/24/25
hazard_code
F,T
safety_code
7-16-36/37-45

Chemie und Industrie

Verwendung und Herstellung

Use ClassificationPharmaceuticals

Anwendungen

VerwendenA metabolite of Tetrahydrocannabinol (T293200). A psychoactive substance cannabinoid that acts as a weak agonist of the CB1 and CB2 receptors.

Zugehörige Reaktionen

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