Grundinformationen
- Standard-SMILES
Oc1ccc2cc(Br)ccc2c1- InChIKey
YLDFTMJPQJXGSS-UHFFFAOYSA-N- Summenformel
- C10H7BrO
- Durchschnittliche Molmasse
- 223,07 g/mol
- Monoisotopische Masse
- 221,96802694
Überblick
6-bromo-2-naphthol is a member of the class of naphthols that is 2-naphthol carrying an additional bromo substituent at position 6. It is a member of naphthols and an organobromine compound. It is functionally related to a 2-naphthol.
Namen und Bezeichner
- Bevorzugter Name
- 6-Bromo-2-naphthalenol
- IUPAC
- 6-bromonaphthalen-2-ol
- Lokaler Name
- 6-Brom-2-naphthol
- Englischer Name
- 6-Bromo-2-naphthol
- Summenformel
- C10H7BrO
- Molmasse
- 223.07
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
15231-91-1- PubChem CID
- 27144
- DTXSID
DTXSID5074551- ChEBI
CHEBI:34466- UNII
- 87F10AHZ3O
- EC Number
- 239-279-0
- Nikkaji
- J30.407G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,4
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 160
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 122 · 122-124 °C (lit.)
- Siedepunkt
- 130 °C · 130°C (rough estimate)
- Dichte
- 1.4412 · 1.4412 (rough estimate)
- Brechungsindex
- 1.57 · 1.5700 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- Chloroform, Methanol
- Aggregatzustand
- Powder
- pka
- 9.26 · 9.26±0.40(Predicted)
- Farbe
- Off-white to beige
- BRN
- 1100270 · 1100270
- InChI
- InChI=1S/C10H7BrO/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h1-6,12H
- InChIKey
- YLDFTMJPQJXGSS-UHFFFAOYSA-N
- SMILES
- C1=C2C(C=C(Br)C=C2)=CC=C1O
- CAS Datenbank
- 15231 · 15231-91-1(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · 2-Naphthalenol, 6-bromo-(15231-91-1)
- EPA chemische Informationen
- 6 · 6-Bromo-2-naphthol (15231-91-1)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 2% (1 of 51) of reports.
Warning
H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 51 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29037990
- RTECS-Nr.
- QL3365000
- risk_code
- 36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36-37/39
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden6-Bromo-2-naphthol is a flavonoid molecule that shows steroid hormone activity and may be useful on anticancer therapy.
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Anbieter50 Anbieter
Ergänzende Hinweise
DefinitionChEBI: A member of the class of naphthols that is 2-naphthol carrying an additional bromo substituent at position 6.
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