Basic information
- CAS
39569-21-6- Standard SMILES
Cc1c(Cl)c(Br)c(Br)c(Br)c1Br- InChIKey
WMXWTOJJASZOCL-UHFFFAOYSA-N- Molecular formula
- C7H3Br4Cl
- Average molar mass
- 442.17 g/mol
- Monoisotopic mass
- 437.66567618
Names & identifiers
- Preferred name
- Tetrabromo-o-chlorotoluene
- IUPAC
- 1,2,3,4-tetrabromo-5-chloro-6-methylbenzene
- English name
- 2,3,4,5-tetrabromo-6-chlorotoluene
- Molecular formula
- C7H3Br4Cl
- Molecular weight
- 442.17
Names & synonyms
2,3,4,5-Tetrabromo-6-chlorotoluene39569-21-6tetrabromo-o-chlorotoluene75W4CS95JDDTXSID50192686RefChem:1099612DTXCID90115177254-522-01,2,3,4-Tetrabromo-5-chloro-6-methylbenzeneBenzene, 1,2,3,4-tetrabromo-5-chloro-6-methyl-EINECS 254-522-0SCHEMBL10780668
Show more names
Tetrabromo-o-chlorotoluene @100 μg/mL in Toluene1,2,3,4-Tetrabromo-5-chloro-6-methylbenzene in toluene
MSK166449-100TNS000010821,2,3,4-Tetrabromo-5-chloro-6-methylbenzene #2,3,4,5-Tetrabromo-6-chlorotoluene Solution in Toluene, 100ug/mL
Database identifiers
- CAS
39569-21-6- PubChem CID
- 38294
- DTXSID
DTXSID50192686- UNII
- 75W4CS95JD
- EC Number
- 254-522-0
- Nikkaji
- J125.874E
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Boiling point
- 379.3 · 379.3±37.0 °C(Predicted)
- Density
- 2.424 · 2.424±0.06 g/cm3(Predicted)
- FDA UNII
- 75 W4CS95JD · 75W4CS95JD
Chemistry & industry
Applications
UsesTetrabromo-o-chlorotoluene is a flame retardant and a standard for environmental testing and research.
Upstream & downstream products
Upstream raw materials
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
2 records
Compound notes
Loading…