Butyraldehyde 2,4-Dinitrophenylhydrazone
Grundinformationen
- CAS
1527-98-6- Standard-SMILES
CCCC=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
IKGRHEWIFBFXPP-UHFFFAOYSA-N- Summenformel
- C10H12N4O4
- Durchschnittliche Molmasse
- 252,23 g/mol
- Monoisotopische Masse
- 252,08585488
Namen und Bezeichner
- Bevorzugter Name
- Butyraldehyde 2,4-Dinitrophenylhydrazone
- IUPAC
- N-(butylideneamino)-2,4-dinitroaniline
- Englischer Name
- n-Butyraldehyde 2,4-dinitrophenylhydrazone
- Summenformel
- C10H12N4O4
- Molmasse
- 252.23
Namen und Synonyme
Butyraldehyde 2,4-Dinitrophenylhydrazone1527-98-6DTXSID60323500RefChem:331133DTXCID50274618625-638-2N-(butylideneamino)-2,4-dinitroanilineButanal, (2,4-dinitrophenyl)hydrazoneButyraldehyde, (2,4-dinitrophenyl)hydrazone(1E)-Butanal (2,4-dinitrophenyl)hydrazone #SCHEMBL22261599IKGRHEWIFBFXPP-UHFFFAOYSA-N
Weitere Namen anzeigen
Butanal-DNPHButyraldehyde-DNPHN-BUTYRALDEHYDE-DNPHbutyraldehyde-2,4-dnphbutanal-DNPH as butanalAdipic Acid Impurity 28N-BUTYRALDEHYDE-2,4-DNPHButyraldehyde-DNPH solutionbutyraldehyde-2,4-dnph solutionBUTYRALDEHYDE (DNPH DERIVATIVE)
AKOS025243572N-(butylideneamino)-2,4-dinitro-anilinebutyraldehyde 2,4-dinitro-phenylhydrazoneB1594
Datenbank-Bezeichner
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,6
- Polarare Oberfläche (TPSA)
- 116 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 323
Physikochemische Eigenschaften
- Schmelzpunkt
- 117 · 117-119 °C(lit.)
- Siedepunkt
- 401.8 · 401.8±45.0 °C(Predicted)
- Dichte
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- Flammpunkt
- 2 ℃ · 2℃
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- DMSO, Methanol (Sparingly)
- pka
- 12.29 · 12.29±0.10(Predicted)
- Farbe
- Pale Yellow to Light Brown
- Stabilität
- Hygrscopic
- Major Application
- environmental
- InChI
- 1S/C10H12N4O4/c1-2-3-6-11-12-9-5-4-8(13(15)16)7-10(9)14(17)18/h4-7,12H,2-3H2,1H3/b11-6+
- InChIKey
- IKGRHEWIFBFXPP-IZZDOVSWSA-N
- SMILES
- CCC/C=N/NC1=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C1
- CAS Datenbank
- 1527 · 1527-98-6
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H228 (33.3%): Flammable solid [Danger Flammable solids]
P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesFlam. Sol. 2 (33.3%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 1648 3/PG 2
- hs_code
- 2928.00.5000
- risk_code
- 36/37/38-36-20/21/22-11
- hazard_code
- Xi,Xn,F
- safety_code
- 26-36/37-16
- hazard_class
- 4.1
- packing_group
- III
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
VerwendenButyraldehyde 2,4-Dinitrophenylhydrazone is a dinitrophenylhydrazone (DNPH) derivative of an aliphatic aldehyde found in mainstream cigarette smoke.
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