Basic information
- CAS
38571-73-2- Standard SMILES
ClCOCC(COCCl)OCCl- InChIKey
SWXSJBPKOPJPJL-UHFFFAOYSA-N- Molecular formula
- C6H11Cl3O3
- Average molar mass
- 237.5 g/mol
- Monoisotopic mass
- 235.977377
Overview
1,2,3-Tris(chloromethoxy)propane is a glycerol ether.
Names & identifiers
- Preferred name
- 1,2,3-Tris(chloromethoxy)propane
- IUPAC
- 1,2,3-tris(chloromethoxy)propane
- English name
- 1,2,3-tris(chloromethoxy)propane
- Molecular formula
- C6H11Cl3O3
- Molecular weight
- 237.51
Names & synonyms
1,2,3-Tris(chloromethoxy)propane38571-73-2Tris-1,2,3-(chloromethoxy)propaneK9C2NE38WFDTXSID0021412RefChem:71443DTXCID001412Glycerol(tri(chloromethyl))etherPropane, 1,2,3-tris(chloromethoxy)-BRN 17027001,2,3-tris[(chloromethyl)oxy]propaneUNII-K9C2NE38WF
Show more names
TRIS-1,2,3(CHLOROMETHOXY)PROPANE
3-01-00-02591 (Beilstein Handbook Reference)SCHEMBL11425581CHEBI:82547C195441,2,3-TRIS(CHLOROMETHOXY)PROPANE [IARC]Q27156059
Database identifiers
- CAS
38571-73-2- PubChem CID
- 62896
- DTXSID
DTXSID0021412- ChEBI
CHEBI:82547- UNII
- K9C2NE38WF
- Nikkaji
- J53.882E
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 86.1
Physicochemical properties
- Density
- 1.3283 · 1.3283 (estimate)
- FDA UNII
- 9 C2NE38WF · K9C2NE38WF
- IARC
- 3 · 3 (Vol. 15, Sup 7, 71) 1999
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
Carcinogen Classification
1,2,3-Tris(chloromethoxy)propane
Group 3: Not classifiable as to its carcinogenicity to humans
Volume 15: (1977) Some Fumigants, the Herbicides 2,4-D and 2,4,5-T, Chlorinated Dibenzodioxins and Miscellaneous Industrial Chemicals
1999
1998
Chemistry & industry
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Additional notes
DefinitionChEBI: 1,2,3-Tris(chloromethoxy)propane is a glycerol ether.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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