4-bromopyrimidine
Structure Info
- Chemspace ID
- CSSB00011438257 (In-Stock Building Blocks)
- CAS
- 31462-56-3, 594-61-6
- MFCD
- MFCD09749817, MFCD12913811, MFCD09749817
- IUPAC Name
- 4-bromopyrimidine
- Mol formula
- C4H3BrN2
- Mol weight
- 159 Da
- Catalog Number(s)
- 31010, 131816, 31462-56-3, 70R0124, A089000456, A18052, A738998, AA00BZFV, ACDS-028009, ACUSEC624, AD289586, AF09481, AF59047, AG-B10864, AG00BZIN, AGN-PC-07H7ZA, AKOS007929977, ArZ-UP381985, B786510, BB020927, BBLS00011438257, BBV-32606442, BD40834, BVV-821315227, CM107755, CS-0040901, CSC011438257, D381734, D565640, EN300-69571, FB11225, H11700, HFC1631, HS-3092, HY-22366, JH253065, LAN-B29426, LN00226099, LQT-B29483, PB00124, SC-19730, TX00C0OB, W-202291, Y0976189, Y1913, Z800213196, ZB2114, ZXC155121, bbls00011438257, seKH-541
- Dangerous substance
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.02
- Heavy atoms count
- 7
- Rotatable bond count
- 0
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0
- Polar surface area (Å)
- 26
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSSB00011438257
Items Overall 24 items from 6 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| BB4LS US | 2 days | United States To: | 95 | 50 umol | 15.00 | |
| BB4LS US | 2 days | United States To: | 95 | 100 umol | 15.00 | |
| BB4LS US | 2 days | United States To: | 95 | 200 umol | 17.65 | |
| BB4LS US | 2 days | United States To: | 95 | 300 umol | 20.62 | |
| BB4LS US | 2 days | United States To: | 95 | 500 umol | 23.00 | |
| BB4LS EU | 7 days | Latvia To: | 95 | 50 umol | 15.00 | |
| BB4LS EU | 7 days | Latvia To: | 95 | 100 umol | 15.00 | |
| BB4LS EU | 7 days | Latvia To: | 95 | 200 umol | 17.65 | |
| BB4LS EU | 7 days | Latvia To: | 95 | 300 umol | 20.62 | |
| BB4LS EU | 7 days | Latvia To: | 95 | 500 umol | 23.00 | |
| StruChem CO., LTD | 10 days | China To: | 95 | 10 g | 431.00 | |
Description: CAS: 31462-56-3 | ||||||
| Advanced ChemBlocks CN | 12 days | China To: | 95 | 1 g | 395.00 | |
| Advanced ChemBlocks CN | 12 days | China To: | 95 | 5 g | 950.00 | |
Description: 4-Bromopyrimidine; CAS: 31462-56-3 | ||||||
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 50 mg | 19.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 100 mg | 23.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 250 mg | 34.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 500 mg | 52.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 1 g | 67.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 2.5 g | 115.00 | |
| BB4LS CN | 15 days | China To: | 95 | 50 umol | 383.94 | |
| BB4LS CN | 15 days | China To: | 95 | 100 umol | 391.05 | |
| BB4LS CN | 15 days | China To: | 95 | 200 umol | 398.16 | |
| BB4LS CN | 15 days | China To: | 95 | 300 umol | 405.27 | |
| BB4LS CN | 15 days | China To: | 95 | 500 umol | 412.38 | |
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4-Bromopyrimidine: Overview and chemical identifiers
4-Bromopyrimidine is a halogenated nitrogen heterocycle based on the pyrimidine ring. It contains nitrogen atoms at positions 1 and 3 and a bromine substituent at carbon 4. The 4-bromopyrimidine CAS number is 31462-56-3. This identifier, together with the formula and structure, distinguishes the compound from other bromopyrimidine isomers and salt forms found under similar catalog names.
Names, synonyms and CAS 31462-56-3
The preferred name is 4-Bromopyrimidine; the catalog form pyrimidine, 4-bromo- describes the same neutral structure. The expression 4 Bromopyrimidine, without a hyphen, is an informal search variant rather than the preferred chemical spelling. Salt forms such as 4-Bromopyrimidine hydrochloride or hydrobromide have different compositions and are not exact synonyms of the neutral compound. Because catalog records are not always consistent, users should confirm the name, formula, CAS number, and structure before selecting a product.
Molecular structure and chemical properties
The molecular formula of neutral 4-Bromopyrimidine is C4H3BrN2, and its average molecular weight is 158.98 g/mol. The molecule comprises a six-membered aromatic ring with two nitrogen atoms and one carbon-bromine bond. A valid SMILES representation is BrC1=CC=NC=N1. The standard InChI is InChI=1S/C4H3BrN2/c5-4-1-2-6-3-7-4/h1-3H, and the InChIKey is XDADSGBUZWZQQQ-UHFFFAOYSA-N. Physical form, storage conditions, and hazard information may depend on the supplied form and should be taken from the applicable SDS and product documentation.
Applications and research use
4-Bromopyrimidine is used as a halogenated heteroaryl building block in organic synthesis. Published experimental work documents its use in Suzuki-Miyaura coupling, where the brominated carbon participates in carbon-carbon bond formation. The electron-deficient pyrimidine system may also be evaluated in nucleophilic substitution or other cross-coupling routes, but feasibility depends on the reaction partner, catalyst, solvent, and conditions. These transformations provide routes to substituted pyrimidine scaffolds for further research. Use as an intermediate does not establish biological activity, pharmacological properties, or therapeutic value; such claims require direct evidence for the compound itself.
Sourcing and supplier selection on ChemSpace
ChemSpace presents offers from independent suppliers rather than acting as the manufacturer of 4-Bromopyrimidine. For CAS 31462-56-3, users should verify that an offer refers to the neutral compound and not to a hydrochloride, hydrobromide, solution, or another form. The displayed structure, formula, and identifiers should agree with the supplier documentation. Selection should be based on the current offer, analytical specification, batch-specific CoA, SDS, and laboratory requirements. Storage and handling decisions should follow documentation for the exact product supplied.