Name | 4,6-dichloro-5-nitropyrimidine |
Synonyms | AKOS 91435 AKOS BBS-00003102 IFLAB-BB F1371-0158 TIMTEC-BB SBB010041 4,6-dichloro-5-nitropyridine 5-NITRO-4,6-DICHLOROPYRIMIDINE 4,6-DICHLORO-5-NITROPYRIMIDINE 4,6-dichloro-5-nitropyrimidine |
CAS | 4316-93-2 |
EINECS | 224-340-6 |
InChI | InChI=1/C4HCl2N3O2/c5-3-2(9(10)11)4(6)8-1-7-3/h1H |
InChIKey | HCTISZQLTGAYOX-UHFFFAOYSA-N |
Molecular Formula | C4HCl2N3O2 |
Molar Mass | 193.98 |
Density | 1.737±0.06 g/cm3(Predicted) |
Melting Point | 100-103 °C (lit.) |
Boling Point | 325.8±37.0 °C(Predicted) |
Flash Point | 150.8°C |
Solubility | Chloroform, Ethyl Acetate, Methanol, Toluene |
Vapor Presure | 0.000428mmHg at 25°C |
Appearance | Solid |
Color | White to Off-White |
BRN | 162029 |
pKa | -7.48±0.26(Predicted) |
Storage Condition | Inert atmosphere,2-8°C |
Refractive Index | 1.611 |
MDL | MFCD00006107 |
Physical and Chemical Properties | White crystals. |
Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. |
Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S7/9 - |
UN IDs | UN 3335 |
WGK Germany | 3 |
RTECS | UV8258000 |
TSCA | Yes |
HS Code | 29335990 |
Crystal (petroleum ether), molecular weight 193. 98, melting point 100~103 ℃, has tear and stimulating effect.
4, 6-dihydroxy-5-nitropyrimidine and phosphorus oxychloride were heated to 40~55 ℃ with stirring, and dimethylaniline was added dropwise, then heated to 102-112 ℃, after 2 hours of reaction, the temperature was lowered to below 40 ° C., the reaction solution was dropped into ice water, and the temperature was controlled to below 50 ° C., cooled, allowed to stand, and filtered. It was washed with water and drained.
This product irritates the skin, causes the rash. Production equipment should be closed, the operator should wear protective equipment. Be careful not to contact with the skin to prevent allergy.
Lined with a plastic bag, the jacket is packaged in a barrel or in a woven bag. Store in a cool, dry and ventilated place. Sun protection, moisture-proof. According to the general provisions of the storage and transportation of chemicals.
NIST chemical information | Information provided by: webbook.nist.gov (external link) |
EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
uses | pharmaceutical intermediates for the synthesis of vitamin B4. |
Production method | is obtained by the reaction of 4, 6-dihydroxy-5-nitropyrimidine with phosphorus oxychloride. |