Basic information
- CAS
179554-17-7- Standard SMILES
Cc1ccc([N+](=O)[O-])c(C)c1C=O- InChIKey
UUDATMQRVSHPJK-UHFFFAOYSA-N- Molecular formula
- C9H9NO3
- Average molar mass
- 179.17 g/mol
Names & identifiers
- Preferred name
- 2,6-Dimethyl-3-nitrobenzaldehyde
- IUPAC
- 2,6-dimethyl-3-nitrobenzaldehyde
Names & synonyms
2,6-dimethyl-3-nitrobenzaldehyde179554-17-7RefChem:445664973-948-4SCHEMBL6959591UUDATMQRVSHPJK-UHFFFAOYSA-NEHA55417EN300-364685Z1255498933
Database identifiers
- CAS
179554-17-7- PubChem CID
- 21847016
- EC Number
- 973-948-4
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 211
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
2 records
Compound notes
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