Grundinformationen
- Standard-SMILES
Brc1ccc2ccccc2c1- InChIKey
APSMUYYLXZULMS-UHFFFAOYSA-N- Summenformel
- C10H7Br
- Durchschnittliche Molmasse
- 207,07 g/mol
- Monoisotopische Masse
- 205,97311232
Namen und Bezeichner
- Bevorzugter Name
- 2-Bromonaphthalene
- IUPAC
- 2-bromonaphthalene
- Lokaler Name
- 2-Bromnaphthalin
- Englischer Name
- 2-Bromonaphthalene
- Summenformel
- C10H7Br
- Molmasse
- 207.07
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
580-13-2- PubChem CID
- 11372
- DTXSID
DTXSID3060378- ChEMBL
CHEMBL192643- UNII
- SYU33I753N
- EC Number
- 209-452-5
- Nikkaji
- J94.978G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,2
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 133
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 52 · 52-55 °C (lit.)
- Siedepunkt
- 281 · 281-282 °C (lit.)
- Dichte
- 1 · 1,605 g/cm3
- Brechungsindex
- 1.6382 · 1.6382
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Löslichkeit
- 50 mg/mL, · methanol: soluble50mg/mL, clear, colorless to yellow
- Aggregatzustand
- Liquid
- Farbe
- Clear light yellow to orange-brown
- Wasserlöslichkeit
- slightly soluble
- Merck
- 14 · 14,1426
- BRN
- 1858110 · 1858110
- Henry's Law Constant
- 4.3 · 4.3×10-2 mol/(m3Pa) at 25℃, Ebert et al. (2023)
- InChI
- 1S/C10H7Br/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
- InChIKey
- APSMUYYLXZULMS-UHFFFAOYSA-N
- SMILES
- Brc1ccc2ccccc2c1
- CAS Datenbank
- 580 · 580-13-2(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · 2-Bromonaphthalene(580-13-2)
- EPA chemische Informationen
- 2 · Naphthalene, 2-bromo- (580-13-2)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 6% (3 of 50) of reports.
Warning
H302 (94%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 50 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Naphthalene, 2-bromo-
Status: Cease Manufacture Update: 01-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24311
Naphthalene, 2-bromo-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN1230 - class 3 - PG 2 - Methanol
- hs_code
- 29039990
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
Verwenden2-Bromonaphthalene is used as a raw material in the preparation of biaryls through Suzuki cross coupling reaction. Further, it plays a vital role in the preparation of dyes. It is also used to study potential tumorigenicity.
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