Mucobromic acid
Properties
- Molecular formula
- C4H2Br2O3
- Molar mass
- 257.86 g/mol
- Exact mass
- 255.8371 Da
- Melting point
- 123–124 °C
- logP
- 1.27Crippen estimate
- Polar surface area
- 54.4 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 2
- Double bonds
- ZE/Z, in SMILES order
Hazards
Danger
- H314 Causes severe skin burns and eye damage100% of notifiers
Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501
Identifiers
CAS number
488-11-9SMILES
O=C/C(Br)=C(/Br)C(=O)OInChIKey
NCNYEGJDGNOYJX-IHWYPQMZSA-NInChI
InChI=1S/C4H2Br2O3/c5-2(1-7)3(6)4(8)9/h1H,(H,8,9)/b3-2-Characterization data
Calculated from the structure, in the form journals print them.
¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 11.50 (br s, 1H), 9.55 (s, 1H).¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 193.0, 172.2, 132.2, 127.0.[M + H]+
[M + H]+ Calcd for C4H3Br2O3 256.8443[M + Na]+
[M + Na]+ Calcd for C4H2Br2NaO3 278.8263[M − H]−
[M − H]− Calcd for C4HBr2O3 254.8298Elemental analysis
Anal. Calcd for C4H2Br2O3: C, 18.63; H, 0.78.Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 2-Butenoic acid, 2,3-dibromo-4-oxo-, (2Z)-
- Malealdehydic acid, dibromo-
- 2-Butenoic acid, 2,3-dibromo-4-oxo-, (Z)-
- (2Z)-2,3-Dibromo-4-oxo-2-butenoic acid
- Bromomucic acid
- (Z)-2,3-Dibromo-4-oxobut-2-enoic acid
Reactions
Work with Mucobromic acid
Similar compounds
Mucochloric acid87-56-942 % similar
Oxalic acid144-62-735 % similar
2-Bromoacrylic acid10443-65-934 % similar
Glyoxylic acid298-12-433 % similar
Ammonium oxalate1113-38-831 % similar
Ethanedioic acid hydrate (1:2)6153-56-631 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.