Basic information
- CAS
14063-79-7- Standard SMILES
COc1ccc(/C(Cl)=C/C=O)cc1- InChIKey
ZDHOBXVUKIFNBV-POHAHGRESA-N- Molecular formula
- C10H9ClO2
- Average molar mass
- 196.63 g/mol
- Monoisotopic mass
- 196.0291072
Names & identifiers
- Preferred name
- Cinnamaldehyde, beta-chloro-p-methoxy-
- IUPAC
- (Z)-3-chloro-3-(4-methoxyphenyl)prop-2-enal
Names & synonyms
BRN 2440490beta-Chloro-p-methoxycinnamaldehydeCINNAMALDEHYDE, beta-CHLORO-p-METHOXY-4-08-00-00886 (Beilstein Handbook Reference)14063-79-7RefChem:334153161891-27-6(Z)-3-Chloro-3-(4-methoxyphenyl)acrylaldehydeSCHEMBL11160992AKOS017516603DB-322127
Database identifiers
- CAS
14063-79-7- PubChem CID
- 6433596
- EC Number
- 630-795-5
- Nikkaji
- J1.114.388A、J1.148.375E
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 193
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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