1-(5-Bromo-2-methoxyphenyl)adamantane
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
Weitere Namen anzeigen
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
- Formalladung
- 0
- Komplexität
- 312
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
- Farbe
- White
- InChI
- InChI=1S/C17H21BrO/c1-19-16-3-2-14(18)7-15(16)17-8-11-4-12(9-17)6-13(5-11)10-17/h2-3,7,11-13H,4-6,8-10H2,1H3
- InChIKey
- QQAMHHZQONQBFZ-UHFFFAOYSA-N
- SMILES
- C12(C3=CC(Br)=CC=C3OC)CC3CC(CC(C3)C1)C2
- CAS Datenbank
- 104224 · 104224-63-7(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
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
Regulatorische Informationen
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.
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