Grundinformationen
- CAS
4001-73-4- Standard-SMILES
NC(=O)c1ccccc1Br- InChIKey
NHNAEZDWNCRWRW-UHFFFAOYSA-N- Summenformel
- C7H6BrNO
- Durchschnittliche Molmasse
- 200,03 g/mol
- Monoisotopische Masse
- 198,96327591
Überblick
structure in first source
Namen und Bezeichner
- Bevorzugter Name
- 2-Bromobenzamide
- IUPAC
- 2-bromobenzamide
- Lokaler Name
- 2-Brombenzamid
- Englischer Name
- 2-Bromobenzamide
- Summenformel
- C7H6BrNO
- Molmasse
- 200.03
Namen und Synonyme
2-Bromobenzamide4001-73-4o-BromobenzamideDTXSID50193077NSC-1007184VHS7LS88RefChem:85847DTXCID60115568223-650-9Benzamide, 2-bromo-Benzamide, o-bromo-bromobenzamide
Weitere Namen anzeigen
2-BROMOBENZAMIDE 98%2-Bromobenzamide,98%2-Bromobenzamide >2-Bromobenzamide, 97+%2-Bromobenzenecarboxamide
MFCD00007969EINECS 223-650-9AKOS000197212CS-00384462-bromo-benzamideSMR000459857Maybridge1_0058672-Bromobenzamide, 98%
Datenbank-Bezeichner
- CAS
4001-73-4- PubChem CID
- 77616
- DTXSID
DTXSID50193077- ChEMBL
CHEMBL1878709- UNII
- 84VHS7LS88
- EC Number
- 223-650-9
- Nikkaji
- J194E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,8
- Polarare Oberfläche (TPSA)
- 43,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 138
Experimentelle und physikochemische Eigenschaften
LogP0.73
Physikochemische Eigenschaften
- Schmelzpunkt
- 160 · 160-162 °C (lit.)
- Siedepunkt
- 158 · 158-161 °C(Press: 12 Torr)
- Dichte
- 1.5488 · 1.5488 (rough estimate)
- Brechungsindex
- 1.55 · 1.5500 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- Powder
- pka
- 15.36 · 15.36±0.50(Predicted)
- Farbe
- Beige
- Wasserlöslichkeit
- Slightly soluble in water.
- InChI
- 1S/C7H6BrNO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10)
- InChIKey
- NHNAEZDWNCRWRW-UHFFFAOYSA-N
- SMILES
- NC(=O)c1ccccc1Br
- CAS Datenbank
- 4001 · 4001-73-4(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29242990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden2-Bromobenzamide has been used in microwave assisted one-pot synthesis of substituted 3-(phenylmethylene)isoindolin-1-ones, palladium-catalyzed synthesis of phenanthridinones and in the synthesis of new water-soluble iminophosphorane ligand.
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