2'-Amino-5'-nitropropiophenone
Basic information
- CAS
124623-32-1- Standard SMILES
CCC(=O)c1cc([N+](=O)[O-])ccc1N- InChIKey
SLBZLHXBGDQMBQ-UHFFFAOYSA-N- Molecular formula
- C9H10N2O3
- Average molar mass
- 194.19 g/mol
- Monoisotopic mass
- 194.06914219
Names & identifiers
- Preferred name
- 2'-Amino-5'-nitropropiophenone
- IUPAC
- 1-(2-amino-5-nitrophenyl)propan-1-one
Names & synonyms
124623-32-1RefChem:4395582'-Amino-5'-nitropropiophenone668-643-51-(2-amino-5-nitrophenyl)propan-1-oneNSC163520SCHEMBL9044256AKOS024324258NSC-1635201-(2-amino-5-nitrophenyl)-1-propanoneCS-0283454EN300-672925
Database identifiers
- CAS
124623-32-1- PubChem CID
- 294654
- EC Number
- 668-643-5
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 237
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, 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 CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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