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ChemicalBook--->CAS DataBase List--->4316-93-2

4316-93-2

4316-93-2 Structure

4316-93-2 Structure
IdentificationMore
[Name]

4,6-Dichloro-5-nitropyrimidine
[CAS]

4316-93-2
[Synonyms]

4,6-DICHLORO-5-NITROPYRIMIDINE
5-NITRO-4,6-DICHLOROPYRIMIDINE
AKOS 91435
AKOS BBS-00003102
IFLAB-BB F1371-0158
TIMTEC-BB SBB010041
4,6-dichloro-5-nitropyridine
4,6-DICHLORO-5-NITROPYRIMIDINE, 97+%
4,6-Dichloro-5-Nitro-Pyrimidin
4,6-Dichloro-5-nitropyrimidine ,98%
[EINECS(EC#)]

224-340-6
[Molecular Formula]

C4HCl2N3O2
[MDL Number]

MFCD00006107
[Molecular Weight]

193.98
[MOL File]

4316-93-2.mol
Chemical PropertiesBack Directory
[Appearance]

Yellow Crystalline Solid
[Melting point ]

100-103 °C (lit.)
[Boiling point ]

325.8±37.0 °C(Predicted)
[density ]

1.737±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,2-8°C
[solubility ]

Chloroform, Ethyl Acetate, Methanol, Toluene
[form ]

Solid
[pka]

-7.48±0.26(Predicted)
[color ]

White to Off-White
[Detection Methods]

HPLC
[BRN ]

162029
[InChIKey]

HCTISZQLTGAYOX-UHFFFAOYSA-N
[CAS DataBase Reference]

4316-93-2(CAS DataBase Reference)
[NIST Chemistry Reference]

Pyrimidine, 4,6-dichloro-5-nitro-(4316-93-2)
[EPA Substance Registry System]

4316-93-2(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi,T
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

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 label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S7/9:Keep container tightly closed and in a well-ventilated place .
[RIDADR ]

UN 3335
[WGK Germany ]

3
[RTECS ]

UV8258000
[TSCA ]

Yes
[HS Code ]

29335990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Nitric acid-->Phosphorus oxychloride-->Trifluoroacetic acid-->N,N-Diisopropylethylamine-->4,6-Dihydroxypyrimidine-->4,6-DIHYDROXY-5-NITROPYRIMIDINE-->5-Nitropyrimidine-4,6(1H,5H)-dione-->4-Pyrimidinamine, 6-chloro-N-methyl-5-nitro-N-phenyl--->6-Chloro-5-nitro-4(1H)-pyrimidinone-->N,N-Dimethylaniline
[Preparation Products]

Adenine-->6-Methylpurine-->4,6-Pyrimidinediamine,N4,N6-dimethyl-5-nitro--->N-benzyl-6-chloro-5-nitro-4-pyrimidinamine-->IFLAB-BB F2124-0140-->IFLAB-BB F2124-0129-->IFLAB-BB F2124-0130
Hazard InformationBack Directory
[Chemical Properties]

Yellow Crystalline Solid
[Uses]

4,6-Dichloro-5-nitropyrimidine (cas# 4316-93-2) is a compound useful in organic synthesis.
[Purification Methods]

If too impure, then dissolve it in Et2O, wash it with H2O, dry it over MgSO4, evaporate it to dryness and recrystallise it from pet ether (b 85-105o) to give a light tan solid. It is soluble in ca 8 parts of MeOH [Boon et al. J Chem Soc 96 1951, Montgomery et al. in Synthetic Procedures in Nucleic Acid Chemistry Zorbach & Tipson eds, Wiley & Sons, NY, p76 1968]. [Beilstein 23 III/IV 899.]
Spectrum DetailBack Directory
[Spectrum Detail]

4,6-Dichloro-5-nitropyrimidine(4316-93-2)MS
4,6-Dichloro-5-nitropyrimidine(4316-93-2)IR1
4,6-Dichloro-5-nitropyrimidine(4316-93-2)IR2
4,6-Dichloro-5-nitropyrimidine(4316-93-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

4316-93-2(sigmaaldrich)
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