Cannabinol

HCID 2543

기본 정보

CAS
521-35-7
표준 SMILES
CCCCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2
InChIKey
VBGLYOIFKLUMQG-UHFFFAOYSA-N
분자식
C21H26O2
평균 분자량
310.4 g/mol
단동위원소 질량
310.19328007

개요

Leaflets. (NTP, 1992)

이름 및 식별자

우선 이름
Cannabinol
IUPAC
6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol
영어명
CANNABINOL
분자식
C21H26O2
분자량
310.43

이름 및 동의어

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
이름 더 보기
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)

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
6.1
극성 표면적
29.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
4
무거운 원자 수
23

실험 및 물리화학적 성질

Chemical ClassesStimulant
Drugs · 2건

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)

물리화학적 성질

녹는점
76 · 76-77°
끓는 점
0.05 · bp0.05 185°
밀도
1.0865 · 1.0865 (rough estimate)
굴절률
1.49 · 1.4900 (estimate)
인화점
11 °C · 11 °C
저장 조건
2 · 2-8°C

화학적 성질

thin platelets

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

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

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%)

안전 및 보호

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

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 · 1건

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) · 1건

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)

안전 데이터

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

화학 및 산업

용도 및 제조

Use ClassificationPharmaceuticals

응용 분야

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

일반 설명Leaflets.

관련 반응

5건

화합물 노트

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