2,2,2-Trichloro-1-methoxyethanol
Basic information
- CAS
18271-82-4- Standard SMILES
COC(O)C(Cl)(Cl)Cl- InChIKey
LVMUSFXOLZJHFU-UHFFFAOYSA-N- Molecular formula
- C3H5Cl3O2
- Average molar mass
- 179.42 g/mol
- Monoisotopic mass
- 177.935512
Names & identifiers
- Preferred name
- 2,2,2-Trichloro-1-methoxyethanol
- IUPAC
- 2,2,2-trichloro-1-methoxyethanol
- English name
- 2,2,2-trichloro-1-methoxyethanol
- Molecular formula
- C3H5Cl3O2
- Molecular weight
- 179.43
Names & synonyms
2,2,2-Trichloro-1-methoxyethanol18271-82-4EINECS 242-152-2NSC 141432RefChem:80786242-152-2Ethanol,2,2,2-trichloro-1-methoxy-NSC1414322,2,2-Trichloro-1-methoxyethan-1-olSCHEMBL8719874DTXSID30939617LVMUSFXOLZJHFU-UHFFFAOYSA-N
Show more names
Ethanol, 2,2,2-trichloro-1-methoxy-2-[[2-[(2-amino-1-oxoethyl)amino]-1-oxopropyl]amino]-3-phenylpropanoic acid
NSC-141432DS-007557NS00051958
Database identifiers
- CAS
18271-82-4- PubChem CID
- 86694
- DTXSID
DTXSID30939617- EC Number
- 242-152-2
- Nikkaji
- J266.090C
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 69.4
Physicochemical properties
- Boiling point
- 98 · 98-100 °C
- Density
- 1.54 · 1.540±0.06 g/cm3(Predicted)
- pka
- 10.7 · 10.70±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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