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Alfa Aesar |
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400-6106006 |
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| | 4-Nitrophenyl isothiocyanate Basic information |
| | 4-Nitrophenyl isothiocyanate Chemical Properties |
| Melting point | 110-112 °C(lit.) | | Boiling point | 137-138 °C11 mm Hg(lit.) | | density | 1.4360 (rough estimate) | | refractive index | 1.6000 (estimate) | | Fp | 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 | | InChI | 1S/C7H4N2O2S/c10-9(11)7-3-1-6(2-4-7)8-5-12/h1-4H | | InChIKey | NXHSSIGRWJENBH-UHFFFAOYSA-N | | SMILES | [O-][N+](=O)c1ccc(cc1)N=C=S | | CAS DataBase Reference | 2131-61-5(CAS DataBase Reference) | | EPA Substance Registry System | Benzene, 1-isothiocyanato-4-nitro- (2131-61-5) |
| Hazard Codes | Xn | | Risk Statements | 36/37/38-42 | | Safety Statements | 22-26-36 | | RIDADR | 2811 | | WGK Germany | 3 | | F | 10-21 | | TSCA | TSCA listed | | HazardClass | 6.1(b) | | PackingGroup | III | | HS Code | 29309090 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Resp. Sens. 1
Skin Irrit. 2
Skin Sens. 1
STOT SE 3 |
| | 4-Nitrophenyl isothiocyanate Usage And Synthesis |
| Chemical Properties | yellow crystalline powder | | Uses | 4-Nitrophenyl isothiocyanate is used as specializing in synthesizing of organic fine chemicals and pharmaceutical intermediates for use in development and production | | Uses | 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. |
| | 4-Nitrophenyl isothiocyanate Preparation Products And Raw materials |
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