Basic information
- CAS
888-54-0- Standard SMILES
C=CC=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
JJPZHGIYUVFTGG-UHFFFAOYSA-N- Molecular formula
- C9H8N4O4
- Average molar mass
- 236.18 g/mol
- Monoisotopic mass
- 236.05455475
Names & identifiers
- Preferred name
- 2-Propenal 2,4-Dinitrophenylhydrazone
- IUPAC
- 2,4-dinitro-N-(prop-2-enylideneamino)aniline
- English name
- Acrolein 2,4-dinitrophenylhydrazone
- Molecular formula
- C9H8N4O4
- Molecular weight
- 236.18
Names & synonyms
2-Propenal 2,4-Dinitrophenylhydrazone1-(2,4-DINITROPHENYL)-2-(PROP-2-EN-1-YLIDENE)HYDRAZINESCHEMBL22261606JJPZHGIYUVFTGG-UHFFFAOYSA-NDTXSID401008453AKOS030228026N-(allylideneamino)-2,4-dinitro-anilineNSC 20692ACROLEIN-DNPHAcrolein-2.4-dacrolein-2,4-dnphFarnesane Impurity 44
Show more names
Acrolein-DNPH solutionacrolein-DNPH as acroleinacrolein-2,4-dnph solutionAcrolein-DNPH solution,3ppmAcrolein-DNPH solution,10ppm
Database identifiers
- CAS
888-54-0- PubChem CID
- 70176
- DTXSID
DTXSID401008453
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 333
Physicochemical properties
- Melting point
- 221 · 221-222℃
- Boiling point
- 392.8 · 392.8±42.0 °C(Predicted)
- Density
- 1.4 · 1.40
- Flash point
- 2 °C · 2 °C
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly, Sonicated), Methanol (Slightly, Sonicated)
- pka
- 11.74 · 11.74±0.10(Predicted)
- color
- Orange to Very Dark Orange
- BRN
- 5343581 · 5343581
- Stability
- Light Sensitive
- Major Application
- environmental
- InChI
- InChI=1S/C9H8N4O4/c1-2-5-10-11-8-4-3-7(12(14)15)6-9(8)13(16)17/h2-6,11H,1H2
- InChIKey
- JJPZHGIYUVFTGG-BJMVGYQFSA-N
- SMILES
- C(=NNC1=CC=C([N+]([O-])=O)C=C1[N+]([O-])=O)C=C
- UNSPSC Code
- 77101502 · 77101502
- NACRES
- 24 · NA.24
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
- hs_code
- 29280000
- risk_code
- 36/37/38-36-20/21/22-11
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn,F
- safety_code
- 26-36/37-16
- hazard_class
- 4.1
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- 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
UsesAcrolein 2,4-Dinitrophenylhydrazone is a dinitrophenylhydrazone (DNPH) derivative of an aliphatic aldehyde found in mainstream cigarette smoke.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers53 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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