4-Nitrophenyl isocyanate
- CAS NO.：100-28-7
- Empirical Formula: C7H4N2O3
- Molecular Weight: 164.12
- MDL number: MFCD00007306
- EINECS: 202-836-3
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-06-04 16:00:12
What is 4-Nitrophenyl isocyanate?
Chemical properties
yellow crystalline solid
The Uses of 4-Nitrophenyl isocyanate
4-Nitrophenyl isocyanate is used as pharmaceutical intermediates. 4-Nitrophenyl isocyanate was used in the synthesis of 2-(5-methyl-3,4-diphenyl-1H-pyrrole-2-carbonyl)-N-(4-nitrophenyl)hydrazinecarboxamide.
Safety Profile
A poison by intraperitoneal route.Moderately toxic by ingestion. When heated todecomposition it emits toxic vapors of NOx.
Purification Methods
Distil the isocyanate in a vacuum, and/or recrystallise it from pet ether (b 28-38o), *C6H6/pet ether (m 58o) or CCl4 (m 56-57o). [Beilstein 12 H 725, 12 III 1630.]
Properties of 4-Nitrophenyl isocyanate
| Melting point: | 56-59 °C(lit.) |
| Boiling point: | 137-138 °C11 mm Hg(lit.) |
| Density | 1.5018 (rough estimate) |
| refractive index | 1.5300 (estimate) |
| Flash point: | >110°C |
| storage temp. | 2-8°C |
| solubility | soluble in Benzene,Toluene |
| form | Crystalline Solid |
| color | Yellow |
| Water Solubility | Insoluble in water. |
| Sensitive | Moisture Sensitive |
| BRN | 389516 |
| CAS DataBase Reference | 100-28-7(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzene, 1-isocyanato-4-nitro-(100-28-7) |
| EPA Substance Registry System | p-Nitrophenyl isocyanate (100-28-7) |
Safety information for 4-Nitrophenyl isocyanate
| Signal word | Danger |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H317:Sensitisation, Skin H319:Serious eye damage/eye irritation H334:Sensitisation, respiratory H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 4-Nitrophenyl isocyanate
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