Basic information
- CAS
5435-66-5- Standard SMILES
CC(=O)CC(=O)c1cccc([N+](=O)[O-])c1- InChIKey
LENGHKYAWBMFDH-UHFFFAOYSA-N- Molecular formula
- C10H9NO4
- Average molar mass
- 207.18 g/mol
- Monoisotopic mass
- 207.05315777
Names & identifiers
- Preferred name
- 1,3-Butanedione, 1-(3-nitrophenyl)-
- IUPAC
- 1-(3-nitrophenyl)butane-1,3-dione
- English name
- 1-(3-Nitro-phenyl)-butane-1,3-dione
- Molecular formula
- C10H9NO4
- Molecular weight
- 207.18
Names & synonyms
5435-66-51-(3-Nitrophenyl)-1,3-butanedione(m-Nitrobenzoyl)acetone1,3-Butanedione, 1-(3-nitrophenyl)-1,3-Butanedione, 1-(m-nitrophenyl)-BRN 2112278DTXSID102027303-07-00-03493 (Beilstein Handbook Reference)NSC 21485RefChem:218167DTXCID401252211-(3-nitrophenyl)butane-1,3-dione
Show more names
1-(m-nitrophenyl)-3-butanedione1-(3-nitrophenyl)-3-butanedione
1-(3-NITRO-PHENYL)-BUTANE-1,3-DIONEMFCD017515841,3-Butanedione,1-(3-nitrophenyl)-(m-nitrobenzoyl)acetone;1-(3-nitrophenyl)-3-butanedione;1-(m-nitrophenyl)-3-butanedione;1-(3-NITRO-PHENYL)-BUTANE-1,3-DIONENSC21485m-nitro benzoylacetoneSCHEMBL8921654SCHEMBL38656427
Database identifiers
- CAS
5435-66-5- PubChem CID
- 95161
- DTXSID
DTXSID10202730
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers13 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
南京玛奇朵医药科技有限公司19556085883 · [email protected]
上海西浦化工有限公司+86 (21) 6715-7650 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海卡恩医药科技有限公司021-34979681; 17701870669 · [email protected]
上海卡洛化学有限公司21-33526724 18930996265 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海旺珐化工科技有限公司（安徽珐诺伊医药科技有限公司）13918479294 · [email protected]
合肥瑞科昇生物科技有限公司0551-66336380 18956014586 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
上海松帆医药科技有限公司17321241880 · [email protected]
扬州摩笛尔电子材料有限公司13761402923 19975033992 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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