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| CAS No.: | 1865-01-6 |
|---|---|
| Name: | 4-Nitrophenyl formate |
| Article Data: | 13 |
| Molecular Structure: | |
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| Formula: | C7H5NO4 |
| Molecular Weight: | 167.121 |
| Synonyms: | Formicacid, p-nitrophenyl ester (7CI,8CI);4-Nitrophenyl formate;NSC 154301;p-Nitrophenyl formate; |
| EINECS: | 217-473-6 |
| Density: | 1.363 g/cm3 |
| Melting Point: | 71-74 °C |
| Boiling Point: | 279 °C at 760 mmHg |
| Flash Point: | 142.8 °C |
| Solubility: | Soluble in chloroform and dichlormethane |
| Appearance: | Off-White Solid |
| Risk Codes: | 36/37/38 |
| Safety: | 23-24/25 |
| PSA: | 72.12000 |
| LogP: | 2.28910 |
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Specification
The CAS register number of 4-Nitrophenyl formate is 1865-01-6. It also can be called as Formic acid, 4-nitrophenyl ester and the IUPAC name about this chemical is (4-nitrophenyl) formate. The molecular formula about this chemical is C7H5NO4 and the molecular weight is 167.12. It belongs to the following product categories which include Aromatics Compounds; Aromatics; Miscellaneous Reagents and so on. This chemical can be used as a selective formylating agent for one of two amino groups in such basic amino acids as ornithine or lysine.
Physical properties about 4-Nitrophenyl formate are: (1)ACD/LogP: 1.44; (2)ACD/LogD (pH 5.5): 1.44; (3)ACD/LogD (pH 7.4): 1.44; (4)ACD/BCF (pH 5.5): 7.32; (5)ACD/BCF (pH 7.4): 7.32; (6)ACD/KOC (pH 5.5): 144.67; (7)ACD/KOC (pH 7.4): 144.67; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 72.12Å2; (11)Index of Refraction: 1.56; (12)Molar Refractivity: 39.66 cm3; (13)Molar Volume: 122.5 cm3; (14)Polarizability: 15.72x10-24cm3; (15)Surface Tension: 51.4 dyne/cm; (16)Enthalpy of Vaporization: 49.69 kJ/mol; (17)Boiling Point: 279 °C at 760 mmHg; (18)Vapour Pressure: 0.00698 mmHg at 25°C.
Preparation: this chemical can be prepared by formic acid and 4-nitro-phenol. This reaction will need reagent HCO2Na, Ac2O.
Uses of 4-Nitrophenyl formate: it can be used to produce N-(4,5,6-trimethoxy-2,4-dimethyl-tetrahydro-pyran-3-yl)-formamide with 4,5,6-trimethoxy-2,4-dimethyl-tetrahydro-pyran-3-ylamine. This reaction will need solvent tetrahydrofuran. The yield is about 76%.
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When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, please avoid contact with skin and eyes, and also you need to remeber do not breathe vapour.
You can still convert the following datas into molecular structure:
(1)SMILES: O=COc1ccc(cc1)[N+]([O-])=O
(2)InChI: InChI=1/C7H5NO4/c9-5-12-7-3-1-6(2-4-7)8(10)11/h1-5H
(3)InChIKey: IEXRKQFZXJSHOB-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C7H5NO4/c9-5-12-7-3-1-6(2-4-7)8(10)11/h1-5H
(5)Std. InChIKey: IEXRKQFZXJSHOB-UHFFFAOYSA-N