Benzoyl chloride, 3,6-dichloro-2-methoxy-

HCID 82609CAS 10411-85-5

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Basic information

Standard SMILES: COc1c(Cl)ccc(Cl)c1C(=O)Cl
InChIKey: LLUYGIUJQSTELT-UHFFFAOYSA-N
Molecular formula: C8H5Cl3O2
Average molar mass: 239.5 g/mol
Monoisotopic mass: 237.93551244

Names & identifiers

Preferred name: Benzoyl chloride, 3,6-dichloro-2-methoxy-
IUPAC: 3,6-dichloro-2-methoxybenzoyl chloride
English name: 3,6-Dichloro-ortho-anisicacidchloride
Molecular formula: C8H5Cl3O2
Molecular weight: 239.48

Names & synonyms

10411-85-5Benzoyl chloride, 3,6-dichloro-2-methoxy-3,6-Dichloro-o-anisic acid chlorideDTXSID0065064RefChem:566453DTXCID50328623,6-dichloro-2-methoxybenzoyl chloride3,6-DICHLORO-ORTHO-ANISICACIDCHLORIDE2-Methoxy-3,6-dichlorobenzoyl chloride3,6-Dichloro-2-methoxybenzoic acid chlorideSCHEMBL9812091SCHEMBL29433228

Show more names

MFCD092617673,6-dichloro-2-methoxybenzoylchlorideAKOS0026739643,6-di-chloro-2-methoxybenzoyl chlorideDB-3042622-methoxy-3,6-dichlorobenzoic acid chloride

Database identifiers

CAS: 10411-85-5
PubChem CID: 82609
DTXSID: DTXSID0065064
Nikkaji: J414.437F

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 198

Physicochemical properties

Boiling point: 81 · 81-86 °C(Press: 0.2-0.3 Torr)
Density: 1.462 · 1.462±0.06 g/cm3(Predicted)
EPA Substance Registry System: 3 · Benzoyl chloride, 3,6-dichloro-2-methoxy- (10411-85-5)
TSCA: TSCA listed
HS Code: 2918999090 · 2918999090