Diiodomethyl p-tolyl sulfone
Properties
- Molecular formula
- C8H8I2O2S
- Molar mass
- 422.02 g/mol
- Exact mass
- 421.8334 Da
- Density
- 2.2 g/mL
- Boiling point
- 394 °C
- Water solubility
- 10 mg/L (25 °C)
- logP
- 2.92Crippen estimate
- Polar surface area
- 34.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H315 Causes skin irritation11.3% of notifiers
- H317 May cause an allergic skin reaction12% of notifiers
- H318 Causes serious eye damage98.6% of notifiers
- H331 Toxic if inhaled93.5% of notifiers
- H400 Very toxic to aquatic life93.5% of notifiers
- H410 Very toxic to aquatic life with long lasting effects57.7% of notifiers
Aggregated from 433 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P354+P338, P316, P317, P321, P332+P317, P333+P317, P362+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
20018-09-1SMILES
Cc1ccc(S(=O)(=O)C(I)I)cc1InChIKey
XOILGBPDXMVFIP-UHFFFAOYSA-NInChI
InChI=1S/C8H8I2O2S/c1-6-2-4-7(5-3-6)13(11,12)8(9)10/h2-5,8H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
29 names · show all
- Benzene, 1-[(diiodomethyl)sulfonyl]-4-methyl-
- Sulfone, diiodomethyl p-tolyl
- 1-[(Diiodomethyl)sulfonyl]-4-methylbenzene
- 4-Tolyl diiodomethyl sulfone
- Amical 48
- p-Methylphenyl diiodomethyl sulfone
- p-Tolyl diiodomethyl sulfone
- Diiodomethyl 4-tolyl sulfone
- ABG 2000
- DP 1104
- Amical 50
- Amical 81
- A 9248
- Amical WP
- Ultra-fresh UF 95
- Yotoru D
- Ultra-fresh 95
- p-[(Diiodomethyl)sulfonyl]toluol
- Surfasept 74859
- Ultra-fresh DM 95
- DM 95
- Amical flowable
- Microban additive AF
- Mil-kil
- Ultra-fresh 15
- Hokucide AM-48
- Yohtol DP 95
- 1-Diiodomethanesulfonyl-4-methylbenzene
- PBM-OK
Work with Diiodomethyl p-tolyl sulfone
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
1-Methyl-1-tosylmethyl isocyanide58379-80-951 % similar
Methyl p-tolyl sulfone3185-99-747 % similar
p-Tolyl methyl sulfone59203-01-947 % similar
(1-Phenyl-1-tosyl)methyl isocyanide36635-66-246 % similar
p-Toluenesulfonic acid104-15-445 % similar
p-Toluenesulfonic anhydride4124-41-845 % similar
4-Methylbenzenesulfonyl fluoride455-16-345 % similar
P-Toluenesulfonamide70-55-345 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.