61887-07-8

Basic information

• Product Name: Benzene, 1,3-dichloro-2,5-dimethoxy-
• Synonyms: 2.6-Dichlor-hydrochinon-dimethylaether;2,6-Dichlor-1,4-dimethoxy-benzol;1,3-dichloro-2,5-dimethoxy-benzene;Benzene,1,3-dichloro-2,5-dimethoxy;1,3-Dichlor-2,5-dimethoxy-benzol;2,6-dichloro-1,4-dimethoxybenzene
• CAS NO: 61887-07-8
• Molecular Formula: C8H8Cl2O2
• Molecular Weight: 207.056
• Mol File: 61887-07-8.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: Benzene, 1,3-dichloro-2,5-dimethoxy-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzene, 1,3-dichloro-2,5-dimethoxy-(61887-07-8)
• EPA Substance Registry System: Benzene, 1,3-dichloro-2,5-dimethoxy-(61887-07-8)

Safety Data

• Hazardous Substances Data: 61887-07-8(Hazardous Substances Data)

Upstream product

• 10026-13-8 phosphorus pentachloride 
• 7782-50-5 chlorine 
• 150-78-7 1,4-dimethoxybezene 
• 20103-10-0 2,6-dichloro-1,4-benzenediol 
• 74-88-4 methyl iodide 
• 77-78-1 dimethyl sulfate 
• 697-91-6 2,6-dichloro-1,4-benzoquinone 

Downstream Products

• 861304-05-4 1,3-dichloro-2,5-dimethoxy-4,6-dinitro-benzene 
• 98555-70-5 3,5-dichloro-4-methoxy-2,6-dinitro-phenol 
• 151143-61-2 2,4-dichloro-3,6-dimethoxynitrobenzene 

Relevant articles and documents

Halogenated volatiles from the fungus Geniculosporium and the actinomycete Streptomyces chartreusis

Two unidentified chlorinated volatiles X and Y were detected in headspace extracts of the fungus Geniculosporium. Their mass spectra pointed to the structures of a chlorodimethoxybenzene for X and a dichlorodimethoxybenzene for Y. The mass spectra of some constitutional isomers for X and Y were included in our databases and proved to be very similar, thus preventing a full structural assignment. For unambiguous structure elucidation all possible constitutional isomers for X and Y were obtained by synthesis or from commercial suppliers. Comparison of mass spectra and GC retention times rigorously established the structures of the two chlorinated volatiles. Chlorinated volatiles are not very widespread, but brominated or even iodinated volatiles are even more rare. Surprisingly, headspace extracts from Streptomyces chartreusis contained methyl 2-iodobenzoate, a new natural product that adds to the small family of iodinated natural products.

13C and 17O NMR Study of Methoxy Groups in Chlorinated Di- and Trimethoxybenzenes

13C and 17O NMR data for the methoxy groups in isomeric 1,2-, 1,3- and 1,4-dimethoxybenzenes, 1,2,3-trimethoxybenzenes and most of their chlorinated derivatives and some related brominated compounds were measured for CDCl3 solutions.The 17O NMR chemical shifts show up to 60 ppm dispersion.Comparison between the compounds with and without adjacent chlorine atoms (2,6-di- and 2,4,6-trisubstitution) also showed a clear methoxy carbon chemical shift change.The number and position of the chlorine atoms in the aromatic ring give small but observable effects on the 17O NMR chemical shifts of the methoxy group if it is coplanar with the aromatic plane.Similarly, the degree and nature of the substitution have a minor effect (about 1 Hz) on the 1J(CH) direct coupling values.