2,3,5,6-Tetrachlorobenzoic acid
Basic information
- CAS
50-38-4- Standard SMILES
O=C(O)c1c(Cl)c(Cl)cc(Cl)c1Cl- InChIKey
UYGUFXUBSNDUFA-UHFFFAOYSA-N- Molecular formula
- C7H2Cl4O2
- Average molar mass
- 259.9 g/mol
- Monoisotopic mass
- 257.88089
Names & identifiers
- Preferred name
- 2,3,5,6-Tetrachlorobenzoic acid
- IUPAC
- 2,3,5,6-tetrachlorobenzoic acid
- English name
- 2,3,5,6-TETRAMETHYLBENZOICACID
- Molecular formula
- C7H2Cl4O2
- Molecular weight
- 259.9
Names & synonyms
2,3,5,6-Tetrachlorobenzoic acid50-38-42,3,5,6-TBABENZOIC ACID, 2,3,5,6-TETRACHLORO-NSC 138837UNII-3C2S8YI423BRN 19688423C2S8YI423NSC-138837DTXSID501981634-09-00-01011 (Beilstein Handbook Reference)RefChem:81359
Show more names
2,3,5,6-TETRACHLORO-BENZOICACID
DTXCID80120654622-188-9NSC1388372,5,6-Tetrachlorobenzoic acidSCHEMBL2588215UYGUFXUBSNDUFA-UHFFFAOYSA-NBenzoic acid,3,5,6-tetrachloro-AAA05038
Database identifiers
- CAS
50-38-4- PubChem CID
- 5762
- DTXSID
DTXSID50198163- UNII
- 3C2S8YI423
- EC Number
- 622-188-9
- Nikkaji
- J83.522F
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Melting point
- 181.5 · 181.5-182.0 °C
- Boiling point
- 348 · 348.0±37.0 °C(Predicted)
- Density
- 1.735 · 1.735±0.06 g/cm3(Predicted)
- pka
- 0.81 · 0.81±0.25(Predicted)
- FDA UNII
- 3 C2S8YI423 · 3C2S8YI423
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H413
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H413
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Suppliers
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Related reactions
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Compound notes
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