861863

2-Chloroadenosine hemihydrate

97%

• Synonym(s): 6-Amino-2-chloropurine riboside
• Empirical Formula (Hill Notation): C₁₀H₁₂ClN₅O₄ · 0.5H₂O
• CAS Number: 81012-94-4
• Molecular Weight: 310.69
• EC Number: 205-678-3
• MDL number: MFCD28134629
• UNSPSC Code: 12352100
• PubChem Substance ID: 24888561
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 97%
• form: powder
• mp: 160 °C (dec.) (lit.)
• functional group: chloro; ether
• SMILES string: O[C@H]1[C@@H](O)[C@H](N(C=N2)C3=C2C(N)=NC(Cl)=N3)O[C@@H]1CO.O[C@H]4[C@@H](O)[C@H](N(C=N5)C6=C5C(N)=NC(Cl)=N6)O[C@@H]4CO.O
• InChI: 1S/2C10H12ClN5O4.H2O/c2*11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9;/h2*2-3,5-6,9,17-19H,1H2,(H2,12,14,15);1H2/t2*3-,5-,6-,9-;/m11./s1
• InChI key: WRURCFOLSGPTMO-IZGCVNAISA-N

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H302
• Hazard Classifications: Acute Tox. 4 Oral
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves