| Identification | More | [Name]
2-Bromopyrimidine | [CAS]
4595-60-2 | [Synonyms]
2-BROMOPYRIMIDINE
PYRIMIDINE, 2-BROMO-
2-bromo-pyrimidin
Pyrimidine, 2-bromo-(7CI,8CI,9CI)
2-Bromopyrimidine,98+%
2-Bromopyrimide | [EINECS(EC#)]
224-993-7 | [Molecular Formula]
C4H3BrN2 | [MDL Number]
MFCD00014601 | [Molecular Weight]
158.98 | [MOL File]
4595-60-2.mol |
| Chemical Properties | Back Directory | [Appearance]
Off-white crystalline powder | [Melting point ]
55-57 °C (lit.) | [Boiling point ]
62-64°C (1.5 mmHg) | [density ]
1.6448 (rough estimate) | [refractive index ]
1.5260 (estimate) | [Fp ]
62-64°C/1.5mm | [storage temp. ]
-20°C | [solubility ]
DMSO (Sparingly), Methanol (Slightly) | [form ]
Crystalline Powder | [pka]
-1.59±0.13(Predicted) | [color ]
Off-white | [Water Solubility ]
Miscible with water. | [BRN ]
605945 | [InChI]
1S/C4H3BrN2/c5-4-6-2-1-3-7-4/h1-3H | [InChIKey]
PGFIHORVILKHIA-UHFFFAOYSA-N | [SMILES]
Brc1ncccn1 | [CAS DataBase Reference]
4595-60-2(CAS DataBase Reference) | [NIST Chemistry Reference]
Pyrimidine, 2-bromo-(4595-60-2) | [EPA Substance Registry System]
4595-60-2(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [TSCA ]
Yes | [HazardClass ]
IRRITANT | [HS Code ]
29335900 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
2-Chloropyrimidine-->2-Aminopyrimidine | [Preparation Products]
2-Methylpyrimidine-->2,2'-BIPYRIMIDINE-->PYRIMIDIN-2-YLBORONIC ACID-->2,4-DIBROMOPYRIMIDINE-->3-PyriMidin-2-yl-1H-indole, 98+% C12H9N3, MW: 195.23-->Pyrimidine, 2,2-(1,4-phenylene)bis- (9CI)-->Pyrimidine, 2-(ethylthio)- (7CI,8CI,9CI)-->DiMethyl 2-(2-PyriMidyl)Malonate-->Pyrimidine, 2-ethenyl- (9CI)-->3-fluoro-2-(pyrimidin-2-yl)benzonitrile |
| Hazard Information | Back Directory | [Chemical Properties]
Off-white crystalline powder | [Uses]
2-Bromopyrimidine is used in the preparation of 2,7-bis(2-pyrimidyl)-9,9-dihexylfluorene by cross-coupling with 9,9-dihexylfluorene-2,7-diboronic acid. It undergoes microwave-assisted aminocarbonylation at C-2 with palladium and molybdenum hexacarbonyl. | [Preparation]
The recent synthesis of 2-bromopyrimidine by diazotization of 2-aminopyrimidine in hydrobromic acid has furnished a convenient starting material for other 2-substituted pyrimidines. | [General Description]
2-Bromopyrimidine undergoes microwave-assisited aminocarbonylation at C-2 with palladium and Mo(CO)6. |
|
|