| Identification | More | [Name]
6-Chloropurine | [CAS]
87-42-3 | [Synonyms]
6-CHLORO-7H-PURINE
6-CHLORO-9H-PURINE
6-CHLOROPURINE
6-CP
AKOS BBS-00002143
CHLOROPURINE, 6-
TIMTEC-BB SBB004030
1H-Purine, 6-chloro-
6-chloro-1h-purin
6-chloro-1h-purine
6-chloro-purin
6-Chlorpurine
ClP
NSC 744
nsc744
Purine, 6-chloro-
SK 6048
sk6048
X 47
x47 | [EINECS(EC#)]
201-745-6 | [Molecular Formula]
C5H3ClN4 | [MDL Number]
MFCD00075825 | [Molecular Weight]
154.56 | [MOL File]
87-42-3.mol |
| Chemical Properties | Back Directory | [Appearance]
White crystals | [Melting point ]
>300 °C (dec.) (lit.) | [Boiling point ]
254.17°C (rough estimate) | [density ]
1.4649 (rough estimate) | [refractive index ]
1.8430 (estimate) | [storage temp. ]
2-8°C
| [solubility ]
5 g/L | [form ]
crystalline
| [pka]
7.47±0.20(Predicted) | [color ]
yellow-orange
| [Water Solubility ]
5 g/L | [Detection Methods]
HPLC,NMR | [Merck ]
14,2161 | [BRN ]
5774 | [InChIKey]
ZKBQDFAWXLTYKS-UHFFFAOYSA-N | [CAS DataBase Reference]
87-42-3(CAS DataBase Reference) | [NIST Chemistry Reference]
6-Chloropurine(87-42-3) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful 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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [WGK Germany ]
3
| [RTECS ]
UO7520000
| [F ]
10-23 | [HazardClass ]
IRRITANT | [HS Code ]
29339900 | [Toxicity]
LD50 oral in mouse: 720mg/kg |
| Hazard Information | Back Directory | [Chemical Properties]
It is a pale yellow crystal with relatively stable chemical properties that do not cause decomposition at room temperature. Its structure includes nitrogen heterocycles, which give rise to remarkable alkalinity and the formation of volatile acid salts. It is soluble in dimethyl sulfoxide, but has only slight solubility in water.
| [Uses]
6-Chloropurine(87-42-3) is used in the preparation of 9-alkylpurines through alkylation with various substituted alkyl halides in dimethyl sulfoxide. It is also used to prepare 6-succinoaminopurine.
| [Definition]
ChEBI: 6-Chloro-1H-purine is a member of purines. | [Preparation]
6-chloropurine is synthesized by reacting hypoxanthine with phosphoryl chloride in the presence of an unreactive base such as dimethyl aniline. It may likewise be formed by heating hypoxanthine under pressure with phosphoryl chloride as well as with a reagent prepared by adding water, preferably about by volume, to dry phosphoryl chloride.
US2832781A | [Synthesis Reference(s)]
Journal of the American Chemical Society, 78, p. 1928, 1956 DOI: 10.1021/ja01590a043 | [General Description]
The acid-catalyzed reaction of 6-chloropurine with 3,4-di-O-acetyl-D-xylal has been investigated. | [Purification Methods]
6-Chloropurine crystallises from water. The UV in water at pH 1 has 264nm (log 3.94). [Beilstein 26 III/IV 1742.] |
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