3-Bromo-1-chloro-5,5-dimethylhydantoin

C₅H₆BrClN₂O₂CAS 126-06-7241.47 g/mol

Open in Covalent MOL file

Amide Lactam Urea

Properties

Molecular formula: C₅H₆BrClN₂O₂
Molar mass: 241.47 g/mol
Exact mass: 239.9301 Da
Melting point: 163–164 °C
logP: 1.49Crippen estimate
Polar surface area: 40.6 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H272 May intensify fire; oxidizer76.5% of notifiers
H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin76.5% of notifiers
H314 Causes severe skin burns and eye damage98% of notifiers
H317 May cause an allergic skin reaction21.6% of notifiers
H332 Harmful if inhaled76.5% of notifiers
H400 Very toxic to aquatic life21.6% of notifiers

Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P220, P260, P261, P264, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P370+P378, P391, P405, P501

Identifiers

CAS number

126-06-7

SMILES

CC1(C)C(=O)N(Br)C(=O)N1Cl

InChIKey

PQRDTUFVDILINV-UHFFFAOYSA-N

InChI

InChI=1S/C5H6BrClN2O2/c1-5(2)3(10)8(6)4(11)9(5)7/h1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

2,4-Imidazolidinedione, 3-bromo-1-chloro-5,5-dimethyl-
Hydantoin, 3-bromo-1-chloro-5,5-dimethyl-
3-Bromo-1-chloro-5,5-dimethyl-2,4-imidazolidinedione
1-Chloro-3-bromo-5,5-dimethylhydantoin

Work with 3-Bromo-1-chloro-5,5-dimethylhydantoin

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3-Dichloro-5,5-dimethylhydantoin118-52-563 % similar Dbdmh77-48-563 % similar 1,3-Dichloro-5-ethyl-5-methylhydantoin89415-87-242 % similar DMDM Hydantoin6440-58-033 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromo-3-chloro-5,5-dimethylhydantoin16079-88-2

Elsewhere

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