Basic information
- CAS
1589-62-4- Standard SMILES
O=[N+]([O-])c1ccc(NN=C2CCCCC2)c([N+](=O)[O-])c1- InChIKey
QLWXZRVOHCYKKK-UHFFFAOYSA-N- Molecular formula
- C12H14N4O4
- Average molar mass
- 278.26 g/mol
- Monoisotopic mass
- 278.10150493
Names & identifiers
- Preferred name
- Cyclohexanone 2,4-dinitrophenylhydrazone
- IUPAC
- N-(cyclohexylideneamino)-2,4-dinitroaniline
- English name
- Cyclohexanone 2,4-dinitrophenylhydrazone
- Molecular formula
- C12H14N4O4
- Molecular weight
- 278.26
Names & synonyms
Cyclohexanone 2,4-dinitrophenylhydrazoneCyclohexanone-2,4-dinitrophenylhydrazoneCyclohexanone, 2-(2,4-dinitrophenyl)hydrazoneCYCLOHEXANONE, (2,4-DINITROPHENYL)HYDRAZONECyclohexanone-2,4-DNPHAI3-16296NSC-6125EINECS 216-458-17529K006GTDTXSID40166538NSC 61252-(2,4-DINITROPHENYL)HYDRAZONE CYCLOHEXANONE
Show more names
'LGC' (4005)CYCLOHEXANONE-DNPHCYCLOHEXANONE 2,4-DICyclohexanone-DNPH solutionCYCLOHEXANONE DNPH, 100MG,NEATcyclohexanone-2,4-dnph solutionCYCLOHEXANONE (DNPH DERIVATIVE)Cyclohexanone-DNPH solution,3ppmCyclohexanone-DNPH solution,10ppm
CYCLOHEXANONE 2,4-DINITROPHENYLHYDRAZONE [MI]Cyclohexanone2,4DNPHRefChem:580703DTXCID9089029Cyclohexanone, (2,4dinitrophenyl)hydrazone216-458-11589-62-41-cyclohexylidene-2-(2,4-dinitrophenyl)hydrazine
Database identifiers
- CAS
1589-62-4- PubChem CID
- 74117
- DTXSID
DTXSID40166538- ChEMBL
CHEMBL1892411- UNII
- 7529K006GT
- EC Number
- 216-458-1
- Nikkaji
- J109.739C
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 393
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
Physical DescriptionSlightly brown powder; [Acros Organics MSDS]
Physicochemical properties
- Melting point
- 158 · 158-160°C
- Boiling point
- 421.08 °C · 421.08°C (rough estimate)
- Density
- 1.2764 · 1.2764 (rough estimate)
- refractive index
- 1.6081 · 1.6081 (estimate)
- Flash point
- 2 °C · 2 °C
- storage temp.
- 2 · 2-8°C
- solubility
- 25 mg/mL, · chloroform: 25mg/mL, clear, orange
- form
- powder or crystals
- pka
- 14.29 · 14.29±0.20(Predicted)
- Appearance
- White to yellow Solid
- Water Solubility
- Soluble in water (partly).
- Major Application
- diagnostic assay manufacturinghematologyhistology
- InChI
- 1S/C12H14N4O4/c17-15(18)10-6-7-11(12(8-10)16(19)20)14-13-9-4-2-1-3-5-9/h6-8,14H,1-5H2
- InChIKey
- QLWXZRVOHCYKKK-UHFFFAOYSA-N
- SMILES
- [O-][N+](=O)c1ccc(N\N=C2\CCCCC2)c(c1)[N+]([O-])=O
- FDA UNII
- 7529 K006GT · 7529K006GT
- UNSPSC Code
- 12171500 · 12171500
- NACRES
- 47 · NA.47
- Hazard Codes
- F,T,Xn
- Risk Statements
- 11 · 11-20/21/22-36-39/23/24/25
- Safety Statements
- 16 · 16-36/37-45
- RIDADR
- 1648 · UN 1648 3/PG 2
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Hazard information
Hazards SummaryMay cause irritation; [Acros Organics MSDS]
Safety data
- wgk
- 3
- ridadr
- UN 1648 3/PG 2
- risk_code
- 11-20/21/22-36-39/23/24/25
- hazard_code
- F,T,Xn
- safety_code
- 16-36/37-45
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesCyclohexanone 2,4-dinitrophenylhydrazone is a useful standard for elemental analysis. Also used as a pharmaceutical intermediate.
Suppliers39 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
常州帝通化工有限公司+86-0519-88298848 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
Aladdin Scientific[email protected]
Jinan Liheng Biotechnology Co., Ltd.15865262812 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
成都梓永智研生物科技有限公司17780686372 · [email protected]
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Related reactions
1 records
Compound notes
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