4-NITROPHENYL ISOTHIOCYANATE
- CAS NO.：2131-61-5
- Empirical Formula: C7H4N2O2S
- Molecular Weight: 180.18
- MDL number: MFCD00007307
- EINECS: 218-359-9
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-06-26 14:19:27
What is 4-NITROPHENYL ISOTHIOCYANATE?
Chemical properties
yellow crystalline powder
The Uses of 4-NITROPHENYL ISOTHIOCYANATE
4-Nitrophenyl isothiocyanate is used as specializing in synthesizing of organic fine chemicals and pharmaceutical intermediates for use in development and production
The Uses of 4-NITROPHENYL ISOTHIOCYANATE
4-Nitrophenyl isothiocyanate has been used in the synthesis of:
- 5,6-dimethyl-2-[(4-nitrophenyl)amino]thieno[2,3-d]pyrimidin-4(3H)-one
- 4,5-dimethyl-2-substituted carbamothioylaminothiophene-3-carboxamides
- acyclic triazene or zwitterionic dihydropyrimidinium imidothiolate derivatives
Production Methods
4-nitrophenyl isothiocyanat can be produced from para-Nitroaniline with Thiophosgene, or from para-Nitrothiocarbanilide by heating with diluted sulfuric acid.
Synthesis Reference(s)
The Journal of Organic Chemistry, 37, p. 1360, 1972 DOI: 10.1021/jo00974a016
General Description
The solid-state reactivity of hydrazine hydrochloride with 4-nitrophenyl isothiocyanate was studied.
Properties of 4-NITROPHENYL ISOTHIOCYANATE
| Melting point: | 110-112 °C(lit.) |
| Boiling point: | 137-138 °C11 mm Hg(lit.) |
| Density | 1.4360 (rough estimate) |
| refractive index | 1.6000 (estimate) |
| Flash point: | 137-138°C/11mm |
| storage temp. | Store at <= 20°C. |
| solubility | Very slightly soluble in alcohol and oils. |
| form | powder to crystal |
| color | Light orange to Yellow to Green |
| Odor | Pungent-sweet herbaceous-spicy odor with resemblance to Bitter-almond and remote similarity to Heliotropine. |
| Water Solubility | It hydrolyzes with water. Soluble in toluene. |
| Sensitive | Moisture Sensitive |
| BRN | 640027 |
| CAS DataBase Reference | 2131-61-5(CAS DataBase Reference) |
| EPA Substance Registry System | Benzene, 1-isothiocyanato-4-nitro- (2131-61-5) |
Safety information for 4-NITROPHENYL ISOTHIOCYANATE
| 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 |
P280:Wear protective gloves/protective clothing/eye protection/face protection. 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 ISOTHIOCYANATE
| InChIKey | NXHSSIGRWJENBH-UHFFFAOYSA-N |
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