4,6-Dichloro-5-pyrimidinecarbaldehyde
- CAS NO.：5305-40-8
- Empirical Formula: C5H2Cl2N2O
- Molecular Weight: 176.99
- MDL number: MFCD02257701
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-03-04 11:21:25
What is 4,6-Dichloro-5-pyrimidinecarbaldehyde?
Chemical properties
White to off-white solid
The Uses of 4,6-Dichloro-5-pyrimidinecarbaldehyde
4,6-Dichloropyrimidine-5-carboxaldehyde is used as a substrate in the synthesis of N-terminal surrogate in amino acid and peptide analogues.
Properties of 4,6-Dichloro-5-pyrimidinecarbaldehyde
| Melting point: | 66-71 °C |
| Boiling point: | 92-93 °C(Press: 0.05 Torr) |
| Density | 1.588±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| pka | -5.90±0.26(Predicted) |
| color | Yellow |
| InChI | InChI=1S/C5H2Cl2N2O/c6-4-3(1-10)5(7)9-2-8-4/h1-2H |
| CAS DataBase Reference | 5305-40-8(CAS DataBase Reference) |
Safety information for 4,6-Dichloro-5-pyrimidinecarbaldehyde
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H317:Sensitisation, Skin H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 4,6-Dichloro-5-pyrimidinecarbaldehyde
| InChIKey | XQSJHQXYQAUDFC-UHFFFAOYSA-N |
| SMILES | C1=NC(Cl)=C(C=O)C(Cl)=N1 |
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