structural formula
| business number | 014k |
|---|---|
| molecular formula | c4h3brn2o2 |
| molecular weight | 190.99 |
| label |
5-bromo-2,4(1h,3h)pyrimidinedione, 5-bromouracil, 5-bromoouracil, 5-bromo-2,4-dihydroxypyrimidine, 5-bromo by snow, 5-bromo-2,4-dihydroxypyrimidine, uracil, 5-bromo- (van 8ci), 5-bromo-2,4(1h,3h)-pyrimidinedione |
numbering system
cas number:51-20-7
mdl number:mfcd00006017
einecs number:200-084-0
rtecs number:yq9060000
brn number:127176
pubchem number:24851231
physical property data
1. properties: white crystalline powder.
2. density (g/ml, 25/4℃): undetermined
3. relative vapor density (g/ml, air=1): undetermined
4. melting point (ºc): 293
5. boiling point (ºc, normal pressure): undetermined
6. boiling point (ºc, 5.2kpa): undetermined
7. refractive index: undetermined
8. flash point (ºc): undetermined
9. specific rotation (º): undetermined
10. autoignition point or ignition temperature (ºc): undetermined
11. vapor pressure (kpa, 25ºc): undetermined
12. saturated vapor pressure (kpa, 60ºc): undetermined
13. heat of combustion (kj/mol): undetermined
14. critical temperature (ºc): undetermined
15. critical pressure (kpa): undetermined
16. log value of oil-water (octanol/water) partition coefficient: undetermined
17. explosion upper limit (%, v/v): undetermined
18. lower explosion limit (%, v/v): undetermined
19. solubility: slightly soluble in water.
toxicological data
1. acute toxicity: rat abdominal ld50: 1700mg/kg; mouse abdominal ld50: 1400ma/kg; 2. other multi-dose toxicity: dog oral tdlo: 5mg/kg/2w-i3, mutagenicity: mutation microorganismstest system : bacteria – salmonella typhimurium: 300mg/l mutated microorganismstest system: bacteria – escherichia coli: 10mg/l; dna inhibitiontest system: bacteria – bacillus subtilis: 25mg/l; mutated microorganismstest system: bacteria – klebsiella pneumoniae : 1mg/l; mutated microorganismstest system: microorganisms – not otherwise specified: 50mgl; loss and non-disjunction of sex chromosomes: 1mg/l; cytogenetic analysis: 10mg
ecological data
none
molecular structure data
1. molar refractive index: 32.78
2. molar volume (cm3/mol): 97.1
3. isotonic specific volume (90.2k ): 264.1
4. surface tension (dyne/cm): 54.6
5. polarizability (10-24cm3): 12.99
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 2
4. number of rotatable chemical bonds: 0
5. number of tautomers: 9
6. topological molecule polar surface area 58.2
7. number of heavy atoms: 9
8. surface charge: 0
9. complexity: 199
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 0
13. determine the number of chemical bond stereocenters: 0
14. number of uncertain chemical bond stereocenters: 0
15. number of covalent bond units: 1
properties and stability
none
storage method
this product should be kept sealed.
synthesis method
suspend l-alanine in a dioxane solution, perform an acylation reaction with tert-butoxycarbonyl azide to obtain a crude product, and then refine it by recrystallization.
purpose
used as a mutagen.
extended-reading:https://www.bdmaee.net/dimethyltin-dichloride/extended-reading:https://www.morpholine.org/nn-dicyclohexylmethylamine/extended-reading:https://www.newtopchem.com/archives/39962extended-reading:https://www.newtopchem.com/archives/39832extended-reading:https://www.cyclohexylamine.net/thermal-catalyst-sa102-polyurethane-thermal-catalyst-sa-102/extended-reading:https://www.bdmaee.net/wp-content/uploads/2020/06/68.jpgextended-reading:https://www.bdmaee.net/dabco-eg-33-triethylenediamine-in-eg-solution-pc-cat-td-33eg/extended-reading:https://www.cyclohexylamine.net/pc-cat-np109-low-odor-tertiary-amine-catalyst-polycat-9/extended-reading:https://www.bdmaee.net/u-cat-sa838a-catalyst-cas12674-17-3-sanyo-japan/extended-reading:https://www.bdmaee.net/dabco-2039-catalyst-2039-dabco-2039-catalyst/
