Basic information
- CAS
4023-82-9- Standard SMILES
CC(=O)CC(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
UUFHFNDYTYXICJ-UHFFFAOYSA-N- Molecular formula
- C10H9NO4
- Average molar mass
- 207.18 g/mol
- Monoisotopic mass
- 207.05315777
Names & identifiers
- Preferred name
- 1,3-Butanedione, 1-(4-nitrophenyl)-
- IUPAC
- 1-(4-nitrophenyl)butane-1,3-dione
- English name
- 1-(4-nitrophenyl)butane-1,3-dione
- Molecular formula
- C10H9NO4
- Molecular weight
- 207.18
Names & synonyms
1-(4-nitrophenyl)butane-1,3-dione4023-82-91,3-Butanedione, 1-(4-nitrophenyl)-1-(4-Nitrophenyl)-1,3-butanedione1,3-Butanedione, 1-(p-nitrophenyl)-BRN 2213658DTXSID401932234-07-00-02154 (Beilstein Handbook Reference)NSC 21486RefChem:414157DTXCID50115714970-856-6
Show more names
(p-Nitrobenzoyl)acetoneMFCD00187226Benzoylacetone, p-nitro-1-(p-Nitrophenyl)-1,3-butanedione4-NitrobenzoylacetoneNSC214861, 1-(p-nitrophenyl)-1, 1-(4-nitrophenyl)-
Database identifiers
- CAS
4023-82-9- PubChem CID
- 95162
- DTXSID
DTXSID40193223- EC Number
- 970-856-6
- Nikkaji
- J1.059.649A
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
Related reactions
1 records
Compound notes
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