C71807

8-Chlorotheophylline

98%

• Synonym(s): 8-Chloro-1,3-dimethyl-2,6(1H,3H)-purinedione
• Empirical Formula (Hill Notation): C₇H₇ClN₄O₂
• CAS Number: 85-18-7
• Molecular Weight: 214.61
• EC Number: 201-590-4
• MDL number: MFCD00005581
• UNSPSC Code: 12352100
• PubChem Substance ID: 24892943

Properties

• assay: 98%
• mp: 290 °C (dec.) (lit.)
• SMILES string: CN1C(=O)N(C)c2nc(Cl)[nH]c2C1=O
• InChI: 1S/C7H7ClN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10)
• InChI key: RYIGNEOBDRVTHA-UHFFFAOYSA-N
• Gene Information: rat ... Adora1(29290) , Adora2a(25369)

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302
• pcodes: P264 - P270 - P301 + P312 + P330 - P501
• Hazard Classifications: Acute Tox. 4 Oral
• Storage Class: 13 - Non Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: dust mask type N95 (US), Eyeshields, Faceshields, Gloves