CAS 21577-50-4 (E)-2,3-dibromo-4-oxobut-2-enoic acid (HCID 2723705)

Substructure search Find similar structures

Basic information

CAS: 21577-50-4
Standard SMILES: O=C/C(Br)=C(\Br)C(=O)O
InChIKey: NCNYEGJDGNOYJX-NSCUHMNNSA-N
Molecular formula: C4H2Br2O3
Average molar mass: 257.86 g/mol
Monoisotopic mass: 255.83707

Names & identifiers

Preferred name: (E)-2,3-dibromo-4-oxobut-2-enoic acid
IUPAC: (E)-2,3-dibromo-4-oxobut-2-enoic acid
English name: 2,3-dibromo-4-oxo-but-2-enoic acid
Molecular formula: C4H2Br2O3
Molecular weight: 257.86

Names & synonyms

(E)-2,3-dibromo-4-oxobut-2-enoic acid21577-50-490994-06-2(2E)-2,3-dibromo-4-oxobut-2-enoic acid2,3-dibromo-4-oxo-but-2-enoic acid(E)-2,3-dibromo-4-oxo-but-2-enoic acid(Z)-2,3-dibromo-4-oxo-2-butenoic acid2-Butenoic acid, 2,3-dibromo-4-oxo-, (2E)-2,3-dibromofumaraldehydic acidSCHEMBL1816452SCHEMBL7509138NCNYEGJDGNOYJX-NSCUHMNNSA-N

Show more names

2-Butenoic acid, 2,3-dibromo-4-oxo-

2,3-dibromo-4-oxobut-2-enoicacidSTR00588NSC193417AKOS015892701NSC-193417AS-31097CS-0216692CS-0356599

Database identifiers

CAS: 21577-50-4
PubChem CID: 2723705
Nikkaji: J2.390.854I

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 54.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 9
Formal charge: 0
Complexity: 173

Physicochemical properties

storage temp.: 2 · 2-8°C
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 501 · P501-P260-P264-P280-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P405

Safety & regulation

Safety data

Signal word: Danger
Symbol(GHS): GHS05
Hazard statements: H314
Precautionary statements: P501-P260-P264-P280-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P405

Chemistry & industry

Upstream & downstream products

Downstream products

bromoethyne 5-Nitro-1H-pyrazolo[3,4-b]pyridine Dibromomaleic anhydride 4,5-Dibromo-2-phenyl-2,3-dihydropyridazin-3-one Nitromalonaldehyde 5-broMo-2-tert-butyl-pyriMidine-4-carboxylic acid

Suppliers6 total

上海仲因实业有限公司2537653158 16621191650 · [email protected]

上海景颜化工科技有限公司13817811078 · [email protected]

济南精合医药科技有限公司0531-88811783 · [email protected]

江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]

Alchem Pharmtech,Inc.8485655694 · [email protected]

Related reactions

1 records

New reaction record

HRID 1915899As reactantuspto-grants-2013_12

Compound notes

Loading…