1-(4-Methylphenyl)-3-(3-nitroanilino)-1-propanone
Basic information
- CAS
477334-08-0- Standard SMILES
Cc1ccc(C(=O)CCNc2cccc([N+](=O)[O-])c2)cc1- InChIKey
CVORBWGRDGYRQD-UHFFFAOYSA-N- Molecular formula
- C16H16N2O3
- Average molar mass
- 284.31 g/mol
- Monoisotopic mass
- 284.11609238
Names & identifiers
- Preferred name
- 1-(4-Methylphenyl)-3-(3-nitroanilino)-1-propanone
- IUPAC
- 1-(4-methylphenyl)-3-(3-nitroanilino)propan-1-one
- English name
- 1-(4-Methylphenyl)-3-(3-nitroanilino)-1-propanone
- Molecular formula
- C16H16N2O3
- Molecular weight
- 284.31
Names & synonyms
477334-08-01-(4-methylphenyl)-3-(3-nitroanilino)-1-propanoneRefChem:425893651-058-43-((3-Nitrophenyl)amino)-1-(p-tolyl)propan-1-one1-(4-methylphenyl)-3-(3-nitroanilino)propan-1-one1-(4-methylphenyl)-3-[(3-nitrophenyl)amino]propan-1-oneAKOS005108382JS-2537SB82369SALOR-INT L250422-1EA
Database identifiers
- CAS
477334-08-0- PubChem CID
- 4068960
- EC Number
- 651-058-4
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 359
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS05,GHS09
- Signal word
- Danger
- Hazard statements
- 302 · H302-H335-H318-H400-H315
- Precautionary statements
- 273 · P273-P391-P501-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05,GHS09
- Hazard statements
- H302-H335-H318-H400-H315
- Precautionary statements
- P273-P391-P501-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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