4-Chloro-alpha-formylbenzeneacetonitrile
Basic information
- CAS
62538-21-0- Standard SMILES
N#CC(C=O)c1ccc(Cl)cc1- InChIKey
DAEXXSXAEMFPHQ-UHFFFAOYSA-N- Molecular formula
- C9H6ClNO
- Average molar mass
- 179.6 g/mol
- Monoisotopic mass
- 179.0137915
Names & identifiers
- Preferred name
- 4-Chloro-alpha-formylbenzeneacetonitrile
- IUPAC
- 2-(4-chlorophenyl)-3-oxopropanenitrile
- English name
- 2-(4-Chlorophenyl)-2-cyanoacetaldehyde
- Molecular formula
- C9H6ClNO
- Molecular weight
- 179.6
Names & synonyms
62538-21-0RefChem:10705144-Chloro-alpha-formylbenzeneacetonitrile2-(4-chlorophenyl)-3-oxopropanenitrile2-(4-CHLOROPHENYL)-2-CYANOACETALDEHYDEUSAF EL-672-(4-Chlorophenyl)-2-formylacetonitrileMFCD00052669alpha-Formyl-p-chlorophenylacetonitrile2-(4-Chlorophenyl)-3-oxopropionitrile2-formyl-2-(4-chlorophenyl) acetonitrileBRN 0743641
Show more names
Benzeneacetonitrile, 4-chloro-α-formyl-2-(p-chlorophenyl)-2-formyl-acetonitril2-(4-Chlorophenyl)-3-oxopropanenitrile, 95+%
ACETONITRILE, 2-(p-CHLOROPHENYL)-2-FORMYL-2-(p-Chlorophenyl)-2-formylacetonitrileBenzeneacetonitrile, 4-chloro-.alpha.-formyl-3-10-00-03025 (Beilstein Handbook Reference)SCHEMBL2542920SCHEMBL11798306DTXSID50978129STK244804
Database identifiers
- CAS
62538-21-0- PubChem CID
- 44090
- DTXSID
DTXSID50978129- Nikkaji
- J90.697B
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Melting point
- 144 · 144-146°C
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi,Xn
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 3276 · 3276
- 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
- ridadr
- 3276
- hs_code
- 2926907090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
1 records
Compound notes
Loading…