2-(4-Bromonaphthalen-2-yl)acetonitrile
Basic information
- CAS
401469-73-6- Standard SMILES
N#CCc1cc(Br)c2ccccc2c1- InChIKey
SUMAJOULTIGOOM-UHFFFAOYSA-N- Molecular formula
- C12H8BrN
- Average molar mass
- 246.1 g/mol
- Monoisotopic mass
- 244.98401
Names & identifiers
- Preferred name
- 2-(4-Bromonaphthalen-2-yl)acetonitrile
- IUPAC
- 2-(4-bromonaphthalen-2-yl)acetonitrile
- English name
- 2-Naphthaleneacetonitrile, 4-broMo-
- Molecular formula
- C12H8BrN
- Molecular weight
- 246.1
Names & synonyms
2-(4-bromonaphthalen-2-yl)acetonitrile401469-73-6DTXSID90413160RefChem:251963DTXCID803640112-Naphthaleneacetonitrile, 4-bromo-4-bromo-2-naphthaleneacetonitrile2-(4-bromo-2-naphthyl)acetonitrileMFCD18410695(4-Bromonaphthalen-2-yl)acetonitrileAKOS016013687AS-63509
Show more names
DB-337640CS-0323264A11258
Database identifiers
- CAS
401469-73-6- PubChem CID
- 5249152
- DTXSID
DTXSID90413160
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Boiling point
- 394.6 · 394.6±17.0 °C(Predicted)
- Density
- 1.483 · 1.483±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses(4-Bromonaphthalen-2-yl)acetonitrile is derived from α, β-Unsaturated ketone Methyl Coumalate (M294530), which showed cytotoxicity against human normal gingival fibroblast cells and oral squamous cell carcinoma cell line-2.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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