Tritac
Basic information
- CAS
1861-44-5- Standard SMILES
CC(O)COCc1c(Cl)ccc(Cl)c1Cl- InChIKey
LJWIIRATRWPHBA-UHFFFAOYSA-N- Molecular formula
- C10H11Cl3O2
- Average molar mass
- 269.5 g/mol
- Monoisotopic mass
- 267.982463
Names & identifiers
- Preferred name
- Tritac
- IUPAC
- 1-[(2,3,6-trichlorophenyl)methoxy]propan-2-ol
- English name
- 1-[(2,3,6-trichlorophenyl)methoxy]propan-2-ol
- Molecular formula
- C10H11Cl3O2
- Molecular weight
- 269.55
Names & synonyms
TRITAC1861-44-5HRS-587Caswell No. 873B1-[(2,3,6-trichlorophenyl)methoxy]propan-2-ol1-((2,3,6-Trichlorobenzyl)oxy)-2-propanolEPA Pesticide Chemical Code 081801UNII-81077M6NMO81077M6NMO1-((2,3,6-Trichlorophenyl)methoxy)-2-propanolDTXSID3042506HRS 587
Show more names
2-Propanol, 1-[(2,3,6-trichlorophenyl)methoxy]-
2-Propanol, 1-((2,3,6-trichlorophenyl)methoxy)-1-((2,3,6-TRICHLOROPHENYL)METHOXY)PROPAN-2-OLRefChem:192190DTXCID10225062-Propanol, 1-((2,3,6-trichlorobenzyl)oxy)-(7CI,8CI)SCHEMBL132543SCHEMBL31349947NS00123175
Database identifiers
- CAS
1861-44-5- PubChem CID
- 15829
- DTXSID
DTXSID3042506- UNII
- 81077M6NMO
- Nikkaji
- J1.558.983C
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- Boiling point
- 353.2 · 353.2±37.0 °C(Predicted)
- Density
- 1.379 · 1.379±0.06 g/cm3(Predicted)
- pka
- 14.34 · 14.34±0.20(Predicted)
- Henry's Law Constant
- 2 · 2.0×101 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
- FDA UNII
- 81077 M6NMO · 81077M6NMO
- EPA Substance Registry System
- Tritac (1861-44-5)
- Toxicity
- 1 mL/kg · LDLo skin in rabbit: 1mL/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LDLo skin in rabbit: 1mL/kg
Chemistry & industry
Applications
UsesA mild eye irritant.
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Related reactions
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Compound notes
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