Basic information
- CAS
2122-77-2- Standard SMILES
OCCOc1cc(Cl)c(Cl)cc1Cl- InChIKey
ATKFMEGWDYLXBP-UHFFFAOYSA-N- Molecular formula
- C8H7Cl3O2
- Average molar mass
- 241.5 g/mol
- Monoisotopic mass
- 239.951163
Names & identifiers
- Preferred name
- Fenteracol
- IUPAC
- 2-(2,4,5-trichlorophenoxy)ethanol
- English name
- 2-(2,4,5-trichlorophenoxy)ethanol
- Molecular formula
- C8H7Cl3O2
- Molecular weight
- 241.49898
Names & synonyms
Fenteracol2-(2,4,5-TRICHLOROPHENOXY)ETHANOL2122-77-2NSC-19197NSC-59656EK76W4J89BDTXSID70175451RefChem:1085331DTXCID6097942218-333-7TCPEFenteracol [ISO]
Show more names
2,4,5-TENSC 59656CHLORINOLFentricol2,4,5-trichlorophenoxyethanol
Ethanol,2-(2,4,5-trichlorophenoxy)-2-(2,4,5-trichlorophenoxy)ethan-1-olEthanol, 2-(2,4,5-trichlorophenoxy)-KlorinolWLN: Q2OR BG DG EGEthanol,4,5-trichlorophenoxy)-2-(2,5-Trichlorophenoxy)ethanolCCRIS 5504
Database identifiers
- CAS
2122-77-2- PubChem CID
- 16462
- DTXSID
DTXSID70175451- UNII
- EK76W4J89B
- EC Number
- 218-333-7
- Nikkaji
- J7.328H
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Melting point
- 65 · 65-66 °C
- Boiling point
- 344.15 °C · 344.15°C (rough estimate)
- Density
- 1.4916 · 1.4916 (rough estimate)
- refractive index
- 1.4521 · 1.4521 (estimate)
- pka
- 14.05 · 14.05±0.10(Predicted)
- FDA UNII
- 76 W4J89B · EK76W4J89B
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 1500 mg/kg NTOTDY 5,503,83
Safety & regulation
Safety data
- Toxicity
- LD50 orl-rat: 1500 mg/kg NTOTDY 5,503,83
Chemistry & industry
Suppliers2 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
4 records
Compound notes
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