6-Bromohexanenitrile (C6H10BrN)

6-Bromohexanenitrile presents a C6 framework, basic nitrogen, halogen substitution (formula C6H10BrN, CAS 6621-59-6). ChemicalTool Reaction can propose ranked disconnections for 6-Bromohexanenitrile from the SMILES N#CCCCCCBr.

Target: 6-Bromohexanenitrile
CAS: 6621-59-6
Formula: C6H10BrN
Approx. MW: 176.06
SMILES: N#CCCCCCBr
PubChem CID: 81093
Approx. carbons: C6

6-Bromohexanenitrile structure

Properties

IUPAC name: 6-bromohexanenitrile
Common names: 6-Bromohexanenitrile; 6-Bromohexanonitrile; Hexanenitrile, 6-bromo-; T2AX3BGU9Z; EINECS 229-570-0; NSC-59712; DTXSID9064421; PHOSWLARCIBBJZ-UHFFFAOYSA-; RefChem:104329; DTXCID3044758
Molecular weight: 176.05
Exact mass: 175.00
InChIKey: PHOSWLARCIBBJZ-UHFFFAOYSA-N

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6-Bromohexanenitrile 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 6-Bromohexanenitrile?

6-Bromohexanenitrile has molecular formula C6H10BrN. Molecular weight about 176.06 g·mol⁻¹.

What is the CAS number of 6-Bromohexanenitrile?

The CAS Registry Number for 6-Bromohexanenitrile is 6621-59-6.

Run AI retrosynthesis for 6-Bromohexanenitrile Target catalog AI tools overview

Open the planner with 6-Bromohexanenitrile preloaded, then keep routes that match CAS 6621-59-6.

Related targets

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References & tools

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