5-Iodouracil
Properties
- Molecular formula
- C4H3IN2O2
- Molar mass
- 237.98 g/mol
- Exact mass
- 237.9239 Da
- Melting point
- 275 °C (decomposes)
- logP
- 0.49Crippen estimate
- Polar surface area
- 66.2 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed91.5% of notifiers
- H312 Harmful in contact with skin91.5% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled91.5% of notifiers
- H335 May cause respiratory irritation97.9% of notifiers
Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
696-07-1SMILES
Oc1ncc(I)c(O)n1InChIKey
KSNXJLQDQOIRIP-UHFFFAOYSA-NInChI
InChI=1S/C4H3IN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- 2,4(1H,3H)-Pyrimidinedione, 5-iodo-
- Uracil, 5-iodo-
- 5-Iodo-2,4(1H,3H)-pyrimidinedione
- 5-Iodo-2,4-dihydroxypyrimidine
- NSC 57848
- 5-Iodo-2,4-pyrimidinedione
- 5-Iodopyrimidine-2,4-diol
- 5-Iodopyrimidine-2,4(1H,3H)-dione
Work with 5-Iodouracil
Similar compounds
Thymine65-71-457 % similar
Pyrimidine-2,4,5-triol20636-41-356 % similar
5-Chlorouracil1820-81-152 % similar
5-Bromouracil51-20-752 % similar
5-Fluorouracil51-21-852 % similar
5-Aminouracil932-52-552 % similar
5-(Hydroxymethyl)uracil4433-40-348 % similar
5-Formyluracil1195-08-047 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.