Basic information
- CAS
2877-14-7- Standard SMILES
O=C(O)COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl- InChIKey
OBEUDXCKNSDQIL-UHFFFAOYSA-N- Molecular formula
- C8H3Cl5O3
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 321.852482
Names & identifiers
- Preferred name
- Pentachlorophenoxyacetic acid
- IUPAC
- 2-(2,3,4,5,6-pentachlorophenoxy)acetic acid
- English name
- pentachlorophenoxyacetic acid
- Molecular formula
- C8H3Cl5O3
- Molecular weight
- 324.37262
Names & synonyms
PENTACHLOROPHENOXYACETIC ACID2877-14-7Acetic acid, (pentachlorophenoxy)-2-(2,3,4,5,6-pentachlorophenoxy)acetic acid2-(perchlorophenoxy)acetic acid8J378A7Z4TEINECS 220-721-6NSC-78926AI3-16645ACETIC ACID, 2-(2,3,4,5,6-PENTACHLOROPHENOXY)-DTXSID00182951NSC 78926
Show more names
Nsc789262-(Pentachlorophenoxy)acetic acid
RefChem:171309DTXCID40105442220-721-6Acetic acid,(PENTACHLOROPHENOXY)ACETIC ACIDNCIOpen2_008906UNII-8J378A7Z4TSCHEMBL7424901
Database identifiers
- CAS
2877-14-7- PubChem CID
- 17892
- DTXSID
DTXSID00182951- UNII
- 8J378A7Z4T
- EC Number
- 220-721-6
- Nikkaji
- J306.796C
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- Boiling point
- 440.15 °C · 440.15°C (rough estimate)
- Density
- 1.8274 · 1.8274 (rough estimate)
- refractive index
- 1.555 · 1.5550 (estimate)
- Water Solubility
- 58.39 mg/L · 58.39mg/L(25 ºC)
- FDA UNII
- 8 J378A7Z4T · 8J378A7Z4T
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
UKRORGSYN-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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