Substance
- Substance Name: 2,4,6-trichloroanisole
- Formula: C7H5Cl3O
- Molecular Weight: 211.5 g/mol
- Identifiers:
- inchi: InChI=1S/C7H5Cl3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3
- inchikey: WCVOGSZTONGSQY-UHFFFAOYSA-N
- casrn: 87-40-1
- csmiles: COC1=C(C=C(C=C1Cl)Cl)Cl
- ismiles: COC1=C(C=C(C=C1Cl)Cl)Cl
- pubchemId: 6884
- iupacname: 1,3,5-trichloro-2-methoxybenzene
- wikidataId: Q209191
- chemspiderId: 6620
- dsstoxcmpId: DTXCID0048551
- ecnumber: 201-743-5
2,4,6-trichloroanisole
Systems and Datasets
- 2,4,6-trichloroanisole (Datasets: 4)
- Dataset 1 in paper 10.1021/acs.jced.9b00062 (Dataseries: 1, Datapoints: 1, Quantity: Normal melting temperature)
- Dataset 2 in paper 10.1021/acs.jced.9b00062 (Dataseries: 1, Datapoints: 1, Quantity: Molar enthalpy of transition or fusion)
- Dataset 3 in paper 10.1021/acs.jced.9b00062 (Dataseries: 1, Datapoints: 12, Quantity: Vapor pressure)
- Dataset 4 in paper 10.1021/acs.jced.9b00062 (Dataseries: 1, Datapoints: 18, Quantity: Vapor pressure)