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| CAS No.: | 54840-15-2 |
|---|---|
| Name: | 4-N-BOC-AMINOPHENOL |
| Molecular Structure: | |
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| Formula: | C11H15NO3 |
| Molecular Weight: | 209.245 |
| Synonyms: | Carbamicacid, (4-hydroxyphenyl)-, 1,1-dimethylethyl ester (9CI);(4-Hydroxyphenyl)carbamic acid tert-butyl ester;1,1-Dimethylethyl(4-hydroxyphenyl)carbamate;4-(N-t-Butoxycarbonylamino)phenol;4-Hydroxy-N-(tert-butoxycarbonyl)aniline;4-[(tert-Butoxycarbonyl)amino]phenol;N-(4-Hydroxyphenyl)carbamic acid tert-butyl ester;N-(tert-Butoxycarbonyl)-4-hydroxyaniline;N-Boc-4-hydroxyaniline;tert-Butyl 4-hydroxyphenylcarbamate;tert-ButylN-(4-hydroxyphenyl)carbamate;tert-Butyl p-hydroxycarbanilate; |
| Density: | 1.182 g/cm3 |
| Melting Point: | 143-147 °C(lit.) |
| Boiling Point: | 288.7 °C at 760 mmHg |
| Flash Point: | 128.4 °C |
| Solubility: | Slightly soluble in water. |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38-43 |
| Safety: | 26-36-36/37 |
| PSA: | 58.56000 |
| LogP: | 2.81220 |
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Specification
The Carbamic acid,N-(4-hydroxyphenyl)-, 1,1-dimethylethyl ester, with the CAS registry number 54840-15-2, is also known as N-Boc-4-hydroxyaniline. It belongs to the product category of N-BOC. This chemical's molecular formula is C11H15NO3 and molecular weight is 209.105193. Its IUPAC name is called tert-butyl N-(4-hydroxyphenyl)carbamate. The product should be sealed and stored in cool and dry place.
Physical properties of Carbamic acid,N-(4-hydroxyphenyl)-, 1,1-dimethylethyl ester: (1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.25; (4)ACD/LogD (pH 7.4): 2.25; (5)ACD/BCF (pH 5.5): 30.33; (6)ACD/BCF (pH 7.4): 30.27; (7)ACD/KOC (pH 5.5): 400.29; (8)ACD/KOC (pH 7.4): 399.43; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.569; (13)Molar Refractivity: 58.01 cm3; (14)Molar Volume: 176.8 cm3; (15)Surface Tension: 45.8 dyne/cm; (16)Density: 1.182 g/cm3; (17)Flash Point: 128.4 °C; (18)Enthalpy of Vaporization: 54.91 kJ/mol; (19)Boiling Point: 288.7 °C at 760 mmHg; (20)Vapour Pressure: 0.00133 mmHg at 25°C.
Preparation: this chemical can be prepared by 4-amino-phenol and di(tert-butyl) carbonate. This reaction will need solvent tetrahydrofuran. The reaction time is 3 hours with ambient temperature.
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Uses of Carbamic acid,N-(4-hydroxyphenyl)-, 1,1-dimethylethyl ester: it can be used to produce [4-(tert-butyl-dimethyl-silanyloxy)-phenyl]-carbamic acid tert-butyl ester at ambient temperature. This reaction will need reagent imidazole and solvent dimethylformamide, CH2Cl2 with reaction time of 3 hours. The yield is about 97%.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)OC(=O)NC1=CC=C(C=C1)O
(2)InChI: InChI=1S/C11H15NO3/c1-11(2,3)15-10(14)12-8-4-6-9(13)7-5-8/h4-7,13H,1-3H3,(H,12,14)
(3)InChIKey: YRQMBQUMJFVZLF-UHFFFAOYSA-N