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Alfa Aesar |
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400-6106006 |
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saleschina@alfa-asia.com |
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Energy Chemical |
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| | 3-Nitrophenyl isothiocyanate Basic information |
| | 3-Nitrophenyl isothiocyanate Chemical Properties |
| Melting point | 57-60 °C(lit.) | | Boiling point | 277.5°C (rough estimate) | | density | 1.4360 (rough estimate) | | refractive index | 1.6000 (estimate) | | storage temp. | 2-8°C | | Water Solubility | 50.45mg/L(25 ºC) | | Sensitive | Moisture Sensitive | | BRN | 2094061 | | InChI | InChI=1S/C7H4N2O2S/c10-9(11)7-3-1-2-6(4-7)8-5-12/h1-4H | | InChIKey | OEZXLKSZOAWNJU-UHFFFAOYSA-N | | SMILES | C1(N=C=S)=CC=CC([N+]([O-])=O)=C1 | | CAS DataBase Reference | 3529-82-6(CAS DataBase Reference) | | EPA Substance Registry System | Benzene, 1-isothiocyanato-3-nitro- (3529-82-6) |
| Hazard Codes | C | | Risk Statements | 34 | | Safety Statements | 23-26-36/37/39-45 | | RIDADR | UN 3261 8/PG 3 | | WGK Germany | 3 | | RTECS | NX9110000 | | TSCA | TSCA listed | | HazardClass | 6.1 | | PackingGroup | II | | HS Code | 29309090 | | Storage Class | 8A - Combustible corrosive hazardous materials | | Hazard Classifications | Skin Corr. 1B |
| | 3-Nitrophenyl isothiocyanate Usage And Synthesis |
| Uses | 3-Nitrophenyl isothiocyanate may be used in the synthesis of 2-[(3-nitrophenyl)amino]naphtho[2,1-b]furo-5H-[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin- 5-one and 5-methyl-3-(3-nitrophenyl)-2-thiooxazolidin-4-one.
It may be used in the synthesis of the following thiourea derivatives:
- N-[(3-chlorophenyl)methyl]-N′-(3-nitrophenyl)thiourea
- N-[(5-chloro-2-methoxyphenyl)methyl]-N′-(3-nitrophenyl)thiourea
- R/S-N-[6-chlorochroman-4-yl]-N′-(3-nitrophenyl)thiourea
| | General Description | 3-Nitrophenyl isothiocyanate, also known as 1-isothiocyanato-3-nitrobenzene, is an organic building block containing an isocyanate group. Its enthalpy of vaporization at boiling point has been reported. Some of its physical properties like freezing point, boiling point, density and refractive index have been evaluated. Its synthesis from 3-nitroaniline has been reported. |
| | 3-Nitrophenyl isothiocyanate Preparation Products And Raw materials |
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