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- Purity: 98%
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6-Chloropurine
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1. Introduction of6-Chloropurine
The 6-Chloropurine, with its CAS NO87-42-3, is a kind oflight yellow crystalline powder. It has synonyms o
Details:
1. Introduction of 6-Chloropurine
The 6-Chloropurine, with its CAS NO 87-42-3, is a kind of light yellow crystalline powder. It has synonyms of 1H-Purine, 6-chloro- (9CI);6-Chloro-1H-purine;1H-Purine, 6-chloro-;SK 6048;Purine, 6-chloro-;X 47;6-chloro-5H-purine;6-CP;6-Chloro purine 98%;NSC-744 PVC Pigment Dispersion Chips. 6-Chloropurine should be stored in shady cool warehouse.
2. Properties of 6-Chloropurine
(1) XLogP3 1.2 (2) H-Bond Don1 (3) H-Bond Accept3
(4) Tautomer Count 4 (5) Exact Mass 154.004624 (6) MonoIsotopic Mass 154.004624
(7) Topological Polar Surface Area 54.5 (8) Heavy Atom Count 10 (9) Complexity 131
(11) Covalently-Bonded Unit Count 1 (12) Feature 3D AcceptCount 1
(13) Feature 3D DonCount 1 (14) Feature 3D Cation Count 2 (15) Feature 3D Ring Count 2
(16) Conformer Sampling RMSD 0.4 (17) CID Conformer Count 1
3. Structure descriptors of 6-Chloropurine
IUPAC Name: 6-chloro-7H-purine
InChI: InChI=1S/C5H3ClN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)
InChIKey: ZKBQDFAWXLTYKS-UHFFFAOYSA-N
Canonical SMILES : C1=NC2=C(N1)C(=NC=N2)Cl
4. Toxicity data of 6-Chloropurine
| Organism | Test Type | Route | Reported Dose (Normalized Dose) |
| mouse | LD10 | unreported | 230mg/kg (230mg/kg) |
| mouse | LD50 | intraperitoneal | 132mg/kg (132mg/kg) |
| mouse | LD50 | oral | 720mg/kg (720mg/kg) |
| mouse | LD50 | subcutaneous | 514mg/kg (514mg/kg) |
| quail | LD50 | oral | > 316mg/kg (316mg/kg) |
| rat | LD50 | intraperitoneal | 400mg/kg (400mg/kg) |
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