Basic information
- CAS
1019-57-4- Standard SMILES
C/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
ONBOQRNOMHHDFB-XNWCZRBMSA-N- Molecular formula
- C8H8N4O4
- Average molar mass
- 224.17 g/mol
- Monoisotopic mass
- 224.05455475
Names & identifiers
- Preferred name
- Ethanal-2,4-dinitrophenylhydrazone
- IUPAC
- N-[(E)-ethylideneamino]-2,4-dinitroaniline
- English name
- Acetaldehyde 2,4-dinitrophenylhydrazone
- Molecular formula
- C8H8N4O4
- Molecular weight
- 224.17
Names & synonyms
1019-57-4Ethanal-2,4-dinitrophenylhydrazoneDTXSID801030173RefChem:591365DTXCID001515284Acetaldehyde, 2-(2,4-dinitrophenyl)hydrazoneAcetaldehyde-2,4-dinitrophenylhydrazoneNSC 403216N-(ethylideneamino)-2,4-dinitroanilineN-[(E)-ethylideneamino]-2,4-dinitroanilineNSC-403216MFCD00191298
Show more names
DNPHEthanal DNPHAcetaldehyde-2,4-DNPHEthanal DNPH, peak # 2Acetaldehyde-DNPH solutionNicotinic Acid Impurity 27Nicotinic Acid Impurity 26-d4ACETALDEHYDE (DNPH DERIVATIVE)
61947-85-1Acetaldehyde-DNPHAcetaldehyde, (2,4-dinitrophenyl)hydrazone (6CI,8CI,9CI); Ethanal-2,4-dinitrophenylhydrazone; NSC 403216ZV8P2CCR5D(2E)-1-(2,4-dinitrophenyl)-2-ethylidenehydrazineSCHEMBL30677903ONBOQRNOMHHDFB-XNWCZRBMSA-MSK1022
Database identifiers
- CAS
1019-57-4、61947-85-1- PubChem CID
- 5367495
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Melting point
- 164 °C · 164°C
- Boiling point
- 382.5 · 382.5±42.0 °C(Predicted)
- Density
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- Flash point
- 7 °C · 7 °C
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly, Heated)
- form
- powder or crystals
- pka
- 12.29 · 12.29±0.10(Predicted)
- Stability
- Hygroscopic
- Major Application
- diagnostic assay manufacturingenvironmentalhematologyhistology
- InChI
- 1S/C8H8N4O4/c1-2-9-10-7-4-3-6(11(13)14)5-8(7)12(15)16/h2-5,10H,1H3/b9-2+
- InChIKey
- ONBOQRNOMHHDFB-XNWCZRBMSA-N
- SMILES
- C\C=N\Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
- CAS DataBase Reference
- 1019 · 1019-57-4(CAS DataBase Reference)
- FDA UNII
- 8 P2CCR5D · ZV8P2CCR5D
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
- rtecs
- AB2826500
- ridadr
- UN 1648 3/PG 2
- risk_code
- 22-36/37/38-36-20/21/22-11-43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- F,Xn
- safety_code
- 26-36-36/37-16
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P301+P312+P330
Chemistry & industry
Applications
UsesAcetaldehyde 2,4-Dinitrophenylhydrazone is a dinitrophenylhydrazone (DNPH) derivative of an aliphatic alldehyde found in mainstream cigarette smoke.
Suppliers70 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
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]
盐城通铭生物科技有限公司15195160625 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
江苏星科元信息科技有限公司400-605-7200 15335295587 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [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]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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