2-(2,4,5-Trichlorophenoxy)acetonitrile
Basic information
- CAS
18288-25-0- Standard SMILES
N#CCOc1cc(Cl)c(Cl)cc1Cl- InChIKey
MYTJZSJUEJWKNT-UHFFFAOYSA-N- Molecular formula
- C8H4Cl3NO
- Average molar mass
- 236.5 g/mol
- Monoisotopic mass
- 234.935847
Overview
See also: 2,4,5-Trichlorophenoxyacetonitrile (annotation moved to).
Names & identifiers
- Preferred name
- 2-(2,4,5-Trichlorophenoxy)acetonitrile
- IUPAC
- 2-(2,4,5-trichlorophenoxy)acetonitrile
- English name
- (2,4,5-trichlorophenoxy)acetonitrile
- Molecular formula
- C8H4Cl3NO
- Molecular weight
- 236.48
Names & synonyms
2-(2,4,5-trichlorophenoxy)acetonitrile18288-25-0(2,4,5-trichlorophenoxy)acetonitrileNSC204124SCHEMBL3737958DTXSID00308437MYTJZSJUEJWKNT-UHFFFAOYSA-NAKOS000188476NSC-204124[(2,4,5-trichlorophenyl)oxy]acetonitrileAcetonitrile, 2-(2,4,5-trichlorophenoxy)-
Database identifiers
- CAS
18288-25-0- PubChem CID
- 306445
- DTXSID
DTXSID00308437- Nikkaji
- J2.321.514D
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Melting point
- 93 · 93-94 °C(Solv: benzene (71-43-2); ligroine (8032-32-4))
- Boiling point
- 156 °C · 156 °C(Press: 1 Torr)
- Density
- 1.485 · 1.485±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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