4-Bromo-3-ethylbenzonitrile
Basic information
- CAS
170230-29-2- Standard SMILES
CCc1cc(C#N)ccc1Br- InChIKey
ITVYYZNUYKBREP-UHFFFAOYSA-N- Molecular formula
- C9H8BrN
- Average molar mass
- 210.07 g/mol
- Monoisotopic mass
- 208.98401
Names & identifiers
- Preferred name
- 4-Bromo-3-ethylbenzonitrile
- IUPAC
- 4-bromo-3-ethylbenzonitrile
- English name
- 4-broMo-3-ethyl-Benzonitrile
- Molecular formula
- C9H8BrN
- Molecular weight
- 210.07
Names & synonyms
4-Bromo-3-ethylbenzonitrile170230-29-24-broMo-3-ethyl-BenzonitrileMFCD196861874-bromo-3-ethyl benzonitrileSCHEMBL2934457DTXSID10622116ITVYYZNUYKBREP-UHFFFAOYSA-NAKOS026672029BS-16033SY249628CS-0152553
Show more names
Benzonitrile, 4-bromo-3-ethyl-
D83053F069709
Database identifiers
- CAS
170230-29-2- PubChem CID
- 22057730
- DTXSID
DTXSID10622116
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Melting point
- 39 · 39-40°
- Boiling point
- 265.4 · 265.4±20.0 °C(Predicted)
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-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-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
2 records
Compound notes
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