Pentanal, (2,4-dinitrophenyl)hydrazone
Basic information
- CAS
2057-84-3- Standard SMILES
CCCC/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
XGVOZGLOQUHZBZ-KPKJPENVSA-N- Molecular formula
- C11H14N4O4
- Average molar mass
- 266.25 g/mol
- Monoisotopic mass
- 266.10150494
Overview
See also: Valeraldehyde 2,4-DNPH (annotation moved to).
Names & identifiers
- Preferred name
- Pentanal, (2,4-dinitrophenyl)hydrazone
- IUPAC
- 2,4-dinitro-N-[(E)-pentylideneamino]aniline
- English name
- n-Valeraldehyde 2,4-dinitrophenylhydrazone
- Molecular formula
- C11H14N4O4
- Molecular weight
- 266.25
Names & synonyms
2057-84-3Pentanal, (2,4-dinitrophenyl)hydrazone2,4-dinitro-N-[(E)-pentylideneamino]anilinePentanal-2,4-dinitrophenylhydrazoneMFCD00191595Pentanal, 2-(2,4-dinitrophenyl)hydrazoneValeraldehyde 2,4-DinitrophenylhydrazoneValeraldehyde, (2,4-dinitrophenyl)hydrazonePentanal 2,4-dinitrophenylhydrazoneN-pentanal, 2,4-dinitrophenylhydrazoneValeraldehyde-DNPHNSC403613
Show more names
Pentanal-DNPHN-VALERALDEHYDE-DNPHvaleraldehyde-2,4-dnphValeraldehyde-DNPH solutionVALERALDEHYDE (DNPH DERIVATIVE)Valeraldehyde-2,4-DNPH solutionValeraldehyde-DNPH solution,3ppmValeraldehyde-DNPH solution,10ppmValeraldehyde-DNPH solution,15ppm
SCHEMBL22261600SCHEMBL30677907MSK1025Pentanal,4-dinitrophenyl)hydrazoneAKOS024379646NSC-403613Valeraldehyde,4-dinitrophenyl)hydrazonen-Valeraldehyde 2,4-dinitrphenylhydrazone
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 337
Physicochemical properties
- Melting point
- 103 · 103-105 °C(lit.)
- Boiling point
- 412.6 · 412.6±45.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- Flash point
- 2 ℃ · 2℃
- storage temp.
- 0 · 0-6°C
- pka
- 12.2 · 12.20±0.10(Predicted)
- InChI
- 1S/C11H14N4O4/c1-2-3-4-7-12-13-10-6-5-9(14(16)17)8-11(10)15(18)19/h5-8,13H,2-4H2,1H3/b12-7+
- InChIKey
- XGVOZGLOQUHZBZ-KPKJPENVSA-N
- UNSPSC Code
- 77101502 · 77101502
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- Hazard Codes
- Xi,T,F,Xn
- Risk Statements
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
- wgk
- 3
- ridadr
- UN 1648 3/PG 2
- risk_code
- 36/37/38-23/24/25-11-36-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,T,F,Xn
- safety_code
- 26-45-27-16-36/37
- Storage Class
- 3 - Flammable liquids
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 2
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesValeraldehyde-2,4-dinitrophenylhydrazone is a stain/dye. Dyes and metabolites.
Suppliers
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Related reactions
0 records
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Compound notes
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