1-(5-Bromo-2-methoxyphenyl)adamantane

HCID 3285024

Grundinformationen

CAS
104224-63-7
Standard-SMILES
COc1ccc(Br)cc1C12CC3CC(CC(C3)C1)C2
InChIKey
QQAMHHZQONQBFZ-UHFFFAOYSA-N
Summenformel
C17H21BrO
Durchschnittliche Molmasse
321,3 g/mol
Monoisotopische Masse
320,07758

Namen und Bezeichner

Bevorzugter Name
1-(5-Bromo-2-methoxyphenyl)adamantane
IUPAC
1-(5-bromo-2-methoxyphenyl)adamantane
Englischer Name
1-(5-Bromo-2-methoxy-phenyl)adamantane
Summenformel
C17H21BrO
Molmasse
321.25

Namen und Synonyme

104224-63-71-(5-bromo-2-methoxyphenyl)adamantane2-(1-Adamantyl)-4-bromoanisoleDTXSID30391054RefChem:426247DTXCID50341915689-408-3926-283-91-(5-Bromo-2-methoxy-phenyl)adamantaneMFCD038553082-(1-Adamantane)-4-bromoanisoleTricyclo[3.3.1.13,7]decane, 1-(5-bromo-2-methoxyphenyl)-
Weitere Namen anzeigen
Adap-int ACAS:104224-63-71-(5-Bromo-2-methoxyAdapalene IMpurity J2-Adamantyl-4-bromoanisole1-(5-bromo-2-methoxyphenyl)-2-(1-adamantanyl)-4-bromoanisole(1 - ADMANTYL) - 4 BROMO ANISOLE
C17H21BrO2-(1-adamantyl)-4-bromomethoxybenzene2-(1-Adamantyl)-4-bromo-anisoleSTK664462AC-77651-(5-bromo-2-methoxyphenyl)-adamantane3-(1-adamantyl)-1-bromo-4-methoxybenzene2-(1-Adamantyl)-4-bromo anisole

Datenbank-Bezeichner

CAS
104224-63-7
PubChem CID
3285024
DTXSID
DTXSID30391054
EC Number
689-408-3、926-283-9
Nikkaji
J3.152.312E

Eigenschaften

Berechnete Struktureigenschaften

XLogP
6
Polarare Oberfläche (TPSA)
9,2 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
2
Schwere Atome
19

Physikochemische Eigenschaften

Schmelzpunkt
139 · 139-141°C
Siedepunkt
402.5 · 402.5±38.0 °C(Predicted)
Dichte
1.346 · 1.346±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
Löslichkeit
Chloroform (Slightly), Ethyl Acetate (Slightly)
Aggregatzustand
Solid

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (12.5%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (37.5%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (37.5%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (62.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 8 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 06-04-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30818
Hazard Classes and CategoriesAcute Tox. 3 (12.5%);Acute Tox. 4 (37.5%);Acute Tox. 4 (25%);Skin Irrit. 2 (75%);Eye Irrit. 2 (75%);Acute Tox. 4 (37.5%);STOT SE 3 (62.5%)

Regulatorische Informationen

Regulatory InformationStatus: Active Update: 06-04-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30818

Sicherheitsdaten

hs_code
2909309090
hazard_code
Xi
hazard_note
Irritant

Chemie und Industrie

Anwendungen

Beschreibung1-(5-Bromo-2-methoxy-phenyl)adamantane is an organic synthesis reagent for the preparation of the adapalene intermediate 6-bromo-2-naphthalenecarboxylate.

VerwendenAdapalene (A225000) impurity.

Anbieter100 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]

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