InChI=1/C4H4Br2/c5-3-1-2-4-6/h3-4H (C4H4Br2)

Looking for routes to InChI=1/C4H4Br2/c5-3-1-2-4-6/h3-4H? InChI=1/C4H4Br2/c5-3-1-2-4-6/h3-4H presents a C4 framework, halogen substitution, unsaturation. Use the planner with prefilled SMILES, or copy BrCC#CCBr (CAS 2219-66-1).

Target: InChI=1/C4H4Br2/c5-3-1-2-4-6/h3-4H
CAS: 2219-66-1
Formula: C4H4Br2
Approx. MW: 211.88
SMILES: BrCC#CCBr
PubChem CID: 75205
Approx. carbons: C4

InChI=1/C4H4Br2/c5-3-1-2-4-6/h3-4H structure

Properties

IUPAC name: 1,4-dibromobut-2-yne
Common names: 1,4-Dibromo-2-butyne; 1,4-Dibromobut-2-yne; 2-Butyne, 1,4-dibromo-; XWX8CD6E3A; 1,4-Dibromobutyne-2; EINECS 218-731-0; NSC-519345; DTXSID9062271; RefChem:73208; DTXCID0036637
Molecular weight: 211.88
Exact mass: 211.87
InChIKey: SAJMJXZROMTSEF-UHFFFAOYSA-N

View on PubChem

InChI=1/C4H4Br2/c5-3-1-2-4-6/h3-4H 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of InChI=1/C4H4Br2/c5-3-1-2-4-6/h3-4H?

InChI=1/C4H4Br2/c5-3-1-2-4-6/h3-4H has molecular formula C4H4Br2. Molecular weight about 211.88 g·mol⁻¹.

What is the CAS number of InChI=1/C4H4Br2/c5-3-1-2-4-6/h3-4H?

The CAS Registry Number for InChI=1/C4H4Br2/c5-3-1-2-4-6/h3-4H is 2219-66-1.

Run AI retrosynthesis for InChI=1/C4H4Br2/c5-3-1-2-4-6/h3-4H Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C4H4Br2.

Related targets

Similar compounds

3-Chloro-2-methylpropene 4-Bromo-1-Butene Allyl Chloroformate dichlorvos Methacryloyl Chloride Vinyl trifluoroacetate

Browse the full target catalog

References & tools

ChemicalHelper Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.