Basic information
- CAS
292644-32-7- Standard SMILES
O=Cc1cc(Cc2ccccc2Cl)cc([N+](=O)[O-])c1O- InChIKey
WWNPAYUIEZTOAI-UHFFFAOYSA-N- Molecular formula
- C14H10ClNO4
- Average molar mass
- 291.68 g/mol
- Monoisotopic mass
- 291.0298355
Names & identifiers
- Preferred name
- 5-(2-Chlorobenzyl)-2-hydroxy-3-nitrobenzaldehyde
- IUPAC
- 5-[(2-chlorophenyl)methyl]-2-hydroxy-3-nitrobenzaldehyde
Names & synonyms
5-(2-chlorobenzyl)-2-hydroxy-3-nitrobenzaldehyde5-[(2-chlorophenyl)methyl]-2-hydroxy-3-nitrobenzaldehyde5-((2-Chlorophenyl)methyl)-2-hydroxy-3-nitrobenzaldehydeRefChem:529353657-423-4292644-32-7CHEMBL24247834P8Oprea1_103578SCHEMBL16798067DTXSID701201161BDBM50109352
Show more names
STK086291AKOS000112945ST012549Q27454871
Database identifiers
- CAS
292644-32-7- PubChem CID
- 720992
- DTXSID
DTXSID701201161- ChEMBL
CHEMBL2424783- EC Number
- 657-423-4
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 360
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 CategoriesEye Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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