Substance
- Substance Name: 3-bromobenzonitrile
- Formula: C7H4BrN
- Molecular Weight: 182.02 g/mol
- Identifiers:
- inchi: InChI=1S/C7H4BrN/c8-7-3-1-2-6(4-7)5-9/h1-4H
- inchikey: STXAVEHFKAXGOX-UHFFFAOYSA-N
- casrn: 6952-59-6
- csmiles: C1=CC(=CC(=C1)Br)C#N
- ismiles: C1=CC(=CC(=C1)Br)C#N
- pubchemId: 23381
- iupacname: 3-bromobenzonitrile
- wikidataId: Q72451680
- dsstoxcmpId: DTXCID50142262
- ecnumber: 230-127-9
3-bromobenzonitrile
Systems and Datasets
- 3-bromobenzonitrile (Datasets: 2)
- Dataset 12 in paper 10.1016/j.jct.2013.06.003 (Dataseries: 1, Datapoints: 1, Quantity: Normal melting temperature)
- Dataset 13 in paper 10.1016/j.jct.2013.06.003 (Dataseries: 1, Datapoints: 1, Quantity: Molar enthalpy of transition or fusion)