Dibromomalonamide

C₃H₄Br₂N₂O₂CAS 73003-80-2259.88 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₃H₄Br₂N₂O₂
Molar mass: 259.88 g/mol
Exact mass: 257.8640 Da
Melting point: 203 °C
logP: 1.54Crippen estimate
Polar surface area: 88.2 Å²
H-bond donors / acceptors: 4 / 2
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed57.9% of notifiers
H317 May cause an allergic skin reaction57.9% of notifiers
H318 Causes serious eye damage57.9% of notifiers
H319 Causes serious eye irritation27% of notifiers
H330 Fatal if inhaled57.9% of notifiers
H411 Toxic to aquatic life with long lasting effects59.1% of notifiers

Aggregated from 159 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P320, P321, P330, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

73003-80-2

SMILES

N=C(O)C(Br)(Br)C(=N)O

InChIKey

SWHQVMGRXIYDSF-UHFFFAOYSA-N

InChI

InChI=1S/C3H4Br2N2O2/c4-3(5,1(6)8)2(7)9/h(H2,6,8)(H2,7,9)

Weigh it out

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

Names and synonyms

5 names

2,2-Dibromomalonamide
Propanediamide, 2,2-dibromo-
Malonamide, 2,2-dibromo-
2,2-Dibromopropanediamide
Dibromomalonic acid diamide

Work with Dibromomalonamide

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

DBNPA10222-01-244 % similar Trifluoroacetamide354-38-143 % similar 2,2,3,3-Tetrafluorobutanediamide377-37-743 % similar Trichloroacetamide594-65-043 % similar Pivalamide754-10-943 % similar 2-Hydroxy-2-methylpropanamide13027-88-839 % similar Chlorodifluoroacetamide354-28-938 % similar 2,2,3,3,3-Pentafluoropropanamide354-76-738 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook