3-Bromo-4-ethoxybenzonitrile
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Basic information
- CAS
136366-42-2- Standard SMILES
CCOc1ccc(C#N)cc1Br- InChIKey
POVUENZMXWGMMC-UHFFFAOYSA-N- Molecular formula
- C9H8BrNO
- Average molar mass
- 226.07 g/mol
- Monoisotopic mass
- 224.97893
Names & identifiers
- Preferred name
- 3-Bromo-4-ethoxybenzonitrile
- IUPAC
- 3-bromo-4-ethoxybenzonitrile
- English name
- 3-broMo-4-ethyoxylbenzonitrile
- Molecular formula
- C9H8BrNO
- Molecular weight
- 226.07
Names & synonyms
3-bromo-4-ethoxybenzonitrile136366-42-2Benzonitrile, 3-bromo-4-ethoxy-MFCD066319283-Bromo-4-ethoxy-benzonitrile3-broMo-4-ethyoxylbenzonitrileSCHEMBL944720POVUENZMXWGMMC-UHFFFAOYSA-NAKOS000113862BS-50260SY282007DB-204312
Show more names
CS-0377327E77920F760979
Database identifiers
- CAS
136366-42-2- PubChem CID
- 2239072
- Nikkaji
- J3.182.826K
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 186
Experimental & physicochemical properties
LogP2.99
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
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
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
2 records
Compound notes
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