2-Amino-3,4,6-trichlorophenol
Basic information
- CAS
6358-15-2- Standard SMILES
Nc1c(O)c(Cl)cc(Cl)c1Cl- InChIKey
QQDKXJSYZGJGKJ-UHFFFAOYSA-N- Molecular formula
- C6H4Cl3NO
- Average molar mass
- 212.5 g/mol
- Monoisotopic mass
- 210.935847
Overview
2-amino-3,4,6-trichlorophenol is a solid. (NTP, 1992)
Names & identifiers
- Preferred name
- 2-Amino-3,4,6-trichlorophenol
- IUPAC
- 2-amino-3,4,6-trichlorophenol
- English name
- 2-amino-3,4,6-trichlorophenol
- Molecular formula
- C6H4Cl3NO
- Molecular weight
- 212.46
Names & synonyms
2-AMINO-3,4,6-TRICHLOROPHENOL6358-15-2EINECS 228-763-7Phenol, 2-amino-3,4,6-trichloro-DTXSID80979801NSC 7536RefChem:85091DTXCID7014070863,4,6-TRICHLORO-2-AMINOPHENOL2-HYDROXY-3,5,6-TRICHLOROANILINE228-763-7NSC7536
Show more names
2-Amino-3,6-trichlorophenolCHEMBL10513SCHEMBL3319242QQDKXJSYZGJGKJ-UHFFFAOYSA-NGAA35815NSC-7536AKOS011655264NS00043872
Database identifiers
- CAS
6358-15-2- PubChem CID
- 22823
- DTXSID
DTXSID80979801- ChEMBL
CHEMBL10513- EC Number
- 228-763-7
- Nikkaji
- J81.203J
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 146
Experimental & physicochemical properties
Melting Point257 to 261 °F (NTP, 1992)
Physical Description2-amino-3,4,6-trichlorophenol is a solid. (NTP, 1992)
Physicochemical properties
- Melting point
- 124 · 124-125 °C
- Boiling point
- 292 · 292.0±40.0 °C(Predicted)
- Density
- 1.686 · 1.686±0.06 g/cm3(Predicted)
- pka
- 6.9 · 6.90±0.28(Predicted)
- EPA Substance Registry System
- 2 · 2-Amino-3,4,6-trichlorophenol (6358-15-2)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes and mucous membranes.
Reactive GroupPhenols and Cresols
Reactivity Profile2-AMINO-3,4,6-TRICHLOROPHENOL may react with strong oxidizing agents and mineral acids or bases (NTP, 1992).
Air and Water ReactionsMay be sensitive to prolonged exposure to air.
Safety & protection
Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill ResponseSTORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)
Personal Protective Equipment (PPE)MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves.
Chemistry & industry
Applications
General DescriptionSolid.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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