Basic information
- CAS
17696-47-8- Standard SMILES
COc1cccc(C=Nc2ccc(Cl)cc2)c1O- InChIKey
WYECASLDHYCDBF-UHFFFAOYSA-N- Molecular formula
- C14H12ClNO2
- Average molar mass
- 261.7 g/mol
- Monoisotopic mass
- 261.0556563
Names & identifiers
- Preferred name
- Alpha-(4-chlorophenylimino)-6-methoxy-O-cresol
- IUPAC
- 2-[(4-chlorophenyl)iminomethyl]-6-methoxyphenol
Names & synonyms
ALPHA-(4-CHLOROPHENYLIMINO)-6-METHOXY-O-CRESOL2-{[(4-chlorophenyl)imino]methyl}-6-methoxyphenol2-[[(4-Chlorophenyl)imino]methyl]-6-methoxyphenol2-(((4-Chlorophenyl)imino)methyl)-6-methoxyphenolRefChem:555249665-325-817696-47-8DTXSID201233672STK947782AKOS0010609032-{(E)-[(4-chlorophenyl)imino]methyl}-6-methoxyphenol
Database identifiers
- CAS
17696-47-8- PubChem CID
- 778998
- DTXSID
DTXSID201233672- EC Number
- 665-325-8
- Nikkaji
- J735.363D
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 277
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, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, 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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