2-(4-Bromo-2-chlorophenoxy)acetonitrile
Basic information
- CAS
951918-41-5- Standard SMILES
N#CCOc1ccc(Br)cc1Cl- InChIKey
ZIYJCXGUCZBOTC-UHFFFAOYSA-N- Molecular formula
- C8H5BrClNO
- Average molar mass
- 246.49 g/mol
- Monoisotopic mass
- 244.9243
Names & identifiers
- Preferred name
- 2-(4-Bromo-2-chlorophenoxy)acetonitrile
- IUPAC
- 2-(4-bromo-2-chlorophenoxy)acetonitrile
- English name
- 2-(4-bromo-2-chlorophenoxy)acetonitrile
- Molecular formula
- C8H5BrClNO
- Molecular weight
- 246.49
Names & synonyms
2-(4-bromo-2-chlorophenoxy)acetonitrile951918-41-5MFCD09152774SCHEMBL11026699SCHEMBL29878016AKOS005071870BB-06102-(4-bromo-2-chloro-phenoxy)acetonitrileDB-163138CS-0046865Acetonitrile, 2-(4-bromo-2-chlorophenoxy)-
Database identifiers
- CAS
951918-41-5- PubChem CID
- 20480837
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Melting point
- 49 · 49-51°
- Boiling point
- 331.8 · 331.8±27.0 °C(Predicted)
- Density
- 1.627 · 1.627±0.06 g/cm3(Predicted)
- HazardClass
- IRRITANT
- HS Code
- 2926907090 · 2926907090
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
- hs_code
- 2926907090
- hazard_class
- IRRITANT
Chemistry & industry
Applications
Uses2-(4-Bromo-2-chlorophenoxy)acetonitrile is useful as an antibacterial.
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Related reactions
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Compound notes
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