Basic information
- CAS
100-16-3- Standard SMILES
NNc1ccc([N+](=O)[O-])cc1- InChIKey
KMVPXBDOWDXXEN-UHFFFAOYSA-N- Molecular formula
- C6H7N3O2
- Average molar mass
- 153.14 g/mol
- Monoisotopic mass
- 153.05382646
Overview
4-Nitrophenylhydrazine is a orange-red leaflet or needles wetted with water. It will emit toxic oxides of nitrogen when heated to decomposition. It is slightly heavier than water and insoluble in water. It may be irritating to skin, eyes and mucous membranes. It may be toxic by ingestion. It may be explosive and sensitive to friction in the dry state. It is used as a reagent for ketones and aliphatic aldehydes.
Names & identifiers
- Preferred name
- (4-Nitrophenyl)hydrazine
- IUPAC
- (4-nitrophenyl)hydrazine
- English name
- 4-Nitrophenylhydrazine
- Molecular formula
- C6H7N3O2
- Molecular weight
- 153.14
Names & synonyms
4-Nitrophenylhydrazine(4-Nitrophenyl)hydrazine100-16-3p-NitrophenylhydrazineHydrazine, (4-nitrophenyl)-p-HydrazinonitrobenzeneHYDRAZINE, (p-NITROPHENYL)-(p-Nitrophenyl)hydrazineNSC 4079NSC-40792I8586432KDTXSID4059207
Show more names
4-Nitrophenylhydra4-NITROPHEYLHYDRAZINEp-Nitrophenylhydrazide4-NITROPHENYLHDYRAZINEBenzeneethanol,5-iodo-P-NitroPhneyl Hydrazine
CHEBI:66931PNPHpara-nitrophenylhydrazineRefChem:100141DTXCID0032447202-824-81-(4-Nitrophenyl)hydrazineCCRIS 3139
Database identifiers
- CAS
100-16-3- PubChem CID
- 3310889
- DTXSID
DTXSID4059207- ChEBI
CHEBI:66931- UNII
- 2I8586432K
- EC Number
- 202-824-8
- Nikkaji
- J59.887I
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 137
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP1.41
Vapor Pressure0.000946 [mmHg]
Physical Description
4-Nitrophenylhydrazine is a orange-red leaflet or needles wetted with water. It will emit toxic oxides of nitrogen when heated to decomposition. It is slightly heavier than water and insoluble in water. It may be irritating to skin, eyes and mucous membranes. It may be toxic by ingestion. It may be explosive and sensitive to friction in the dry state. It is used as a reagent for ketones and aliphatic aldehydes.
Orange-red solid; [Merck Index] Orange crystalline powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 156 °C · 156 °C (dec.)(lit.)
- Boiling point
- 276.04 °C · 276.04°C (rough estimate)
- Density
- 1 · 1.00
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.
Danger
H228 (95.1%): Flammable solid [Danger Flammable solids]
P210, P240, P241, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Not Classified
Hazard information
Regulatory Information
Chemical: Hydrazine, (4-nitrophenyl)-
(4-Nitrophenyl)hydrazine: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelFlammable Solid
Fire Hazards
Excerpt from ERG Guide 113 [Flammable Materials (Wet / Desensitized Explosive)]:
· Flammable/combustible material.
Health Hazards
Excerpt from ERG Guide 113 [Flammable Materials (Wet / Desensitized Explosive)]:
· Some are toxic and may be fatal if inhaled, ingested or absorbed through skin. Specifically, Dinitrophenol, wetted (UN1320); Dinitrophenolates, wetted (UN1321), Sodium dinitro-o-cresolate, wetted (UN1348); and Barium azide, wetted (UN1571) are known to be toxic.
Hazards SummaryHighly explosive and friction sensitive when dry; May cause skin, eye, and mucous membrane irritation; [CAMEO] An irritant; [Alfa Aesar MSDS] See Phenylhydrazine and Nitrobenzene.
DOT ID and Guide3376 113
Chemistry & industry
Uses & manufacturing
UsesUsed as a reagent for ketones and aldehydes; [Merck Index]
General Manufacturing InformationHydrazine, (4-nitrophenyl)-: ACTIVE
Applications
UsesAnalytical reagent (aldehydes, ketones).
Uses4-Nitrophenylhydrazine is a nitro substituted aryl hydrazine with potential anticancer activity. Irritant.
General Description4-Nitrophenylhydrazine is a orange-red leaflet or needles wetted with water. 4-Nitrophenylhydrazine will emit toxic oxides of nitrogen when heated to decomposition. 4-Nitrophenylhydrazine is slightly heavier than water and insoluble in water. 4-Nitrophenylhydrazine may be irritating to skin, eyes and mucous membranes. 4-Nitrophenylhydrazine may be toxic by ingestion. 4-Nitrophenylhydrazine may be explosive and sensitive to friction in the dry state. 4-Nitrophenylhydrazine is used as a reagent for ketones and aliphatic aldehydes.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
54 records
Compound notes
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