2-Chloro-3-phenylprop-2-enal
Basic information
- CAS
18365-42-9- Standard SMILES
O=CC(Cl)=Cc1ccccc1- InChIKey
SARRRAKOHPKFBW-UHFFFAOYSA-N- Molecular formula
- C9H7ClO
- Average molar mass
- 166.6 g/mol
- Monoisotopic mass
- 166.0185425
Names & identifiers
- Preferred name
- 2-Chloro-3-phenylprop-2-enal
- IUPAC
- 2-chloro-3-phenylprop-2-enal
- English name
- alpha-Chlorocinnamaldehyde
- Molecular formula
- C9H7ClO
- Molecular weight
- 166.6
Names & synonyms
chlorocinnamaldehyde2-chloro-3-phenylprop-2-enalalpha-chloro-cinnamaldehydeChlorzimtaldehydSCHEMBL560303SCHEMBL2263623SCHEMBL98026952-chloro-3-phenyl-prop-2-enalSARRRAKOHPKFBW-UHFFFAOYSA-NSB85369D94582F980136
Show more names
α-chlorocinnamaldehydeα-ChlorocinnamaldehydeAlpha chloroRou Guiquan2-Chloro-3-phenylpropenalALPHA-CHLOROCINNAMALDEHYDEalpha-chloro-cinnamaldehyd2-chloro-3-phenyl-2-propena2-chloro-3-phenyl-2-propenalCinnamaldehyde, alpha-chloro-alpha-Chlorocinnamaldehyde,95%
Database identifiers
- CAS
18365-42-9- PubChem CID
- 29042
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Melting point
- 20 · 20-22 °C(lit.)
- Boiling point
- 107 · 107-108 °C3 mm Hg(lit.)
- Density
- 1.1466 · 1.1466 (rough estimate)
- refractive index
- 20 · n20/D 1.64(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 0 · 0-6°C
- form
- Liquid After Melting
- color
- Brown
- EWG's Food Scores
- 1 · 1
- NIST Chemistry Reference
- «ALPHA»-chlorocinnamaldehyde(18365-42-9)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-22
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
- wgk
- 3
- rtecs
- GD6489990
- ridadr
- UN 2810 6.1/PG 2
- hs_code
- 29130000
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-27-37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Suppliers
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Related reactions
9 records
Compound notes
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