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| CAS No.: | 619-73-8 |
|---|---|
| Name: | 4-Nitrobenzyl alcohol |
| Article Data: | 479 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H7NO3 |
| Molecular Weight: | 153.137 |
| Synonyms: | RARECHEM AL BD 0193;4-Nitrobenaylalcohol;4-NITROPHENYLCARBINOL;4-nitrobenzenemethanol;4-Nitrobenzyl alcoh;4-nitro-benzyl alcohol;p-nitro-benzylalcoho;4-Nitrobenzyl alcohol;p-nitrobenzyl-alcohol;Nitrobenzyl alcohol; |
| EINECS: | 210-611-6 |
| Density: | 1.33 g/cm3 |
| Melting Point: | 92-94 °C(lit.) |
| Boiling Point: | 320.8 °C at 760 mmHg |
| Flash Point: | 148.1 °C |
| Solubility: | Soluble in water (2 mg/ml at 20°C). |
| Appearance: | white to light yellow crystal powder |
| Hazard Symbols: |
 Xi,  C,  F
|
| Risk Codes: | 36/37/38-34-11 |
| Safety: | 22-24/25-36/37/39-26-45-16 |
| PSA: | 66.05000 |
| LogP: | 1.61030 |
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| Conditions | Yield |
|---|---|
| With magnesium(II) perchlorate; 1-(phenyl-2-ethyl)-7-methyl-3,5-N,N-diethylaminocarbonyl-4,7-dihydropyrrolo<2,3-b>pyridine In acetonitrile at 60℃; for 1h; Product distribution; Rate constant; reduction of other benzaldehydes and ketones and carbon carbon double bonds; | 100% |
| With magnesium(II) perchlorate; model of NADH grafted on silica matrix In acetonitrile at 65℃; for 120h; Product distribution; also with methyl benzoylformiate; varied lenght of chain, between reagent and surface of the support, reaction time, proportion of reagent/p-NBA; | 100% |
| With magnesium(II) perchlorate; polymer-bound NADH (2a) In acetonitrile; benzene at 80℃; for 120h; Further byproducts given; | 100% |
| Conditions | Yield |
|---|---|
| With Zn(BH4)2(Ph3P)2 In tetrahydrofuran at 20℃; Reduction; | 100% |
| With N-methylpyrrolidine zinc borohydride In tetrahydrofuran at 20℃; for 0.583333h; | 100% |
| With poly-η-(pyridine)zinc borohydride In diethyl ether for 6h; Ambient temperature; | 98% |
| Conditions | Yield |
|---|---|
| With 8-(N,N-dimethylaminomethyl)-1-naphthyl-(Ph)SiH2 at 25℃; for 12h; | A 100% B n/a |
- 619-73-8
4-nitrobenzyl chloride
| Conditions | Yield |
|---|---|
| With water | 100% |
- 91-63-4
2-methylquinoline
- 555-16-8
4-nitrobenzaldehdye
A
- 619-73-8
4-nitrobenzyl chloride
B
- 1780-19-4
1,2,3,4-tetrahydro-2-methylquinoline
| Conditions | Yield |
|---|---|
| With (7,8-benzoquinolinato)hydrido(aqua)bis(triphenylphosphine)iridium(III) tetrakis[3,5-bis(trifluoromethyl)phenyl]borate; hydrogen In toluene at 80℃; for 18h; | A 100% B 78% |
| Conditions | Yield |
|---|---|
| With methanol; potassium permanganate; trimethylsulphonium iodide at 25℃; under 760.051 Torr; chemoselective reaction; | 99% |
| With acetyl chloride In methanol at 20℃; for 21h; | 96% |
| With methanol; oxo[hexa(trifluoroacetato)]tetrazinc for 6h; Reflux; Inert atmosphere; | 95% |
- 14856-73-6
4-nitrobenzyl trimethylsilyl ether
- 619-73-8
4-nitrobenzyl chloride
| Conditions | Yield |
|---|---|
| With bismuth(lll) trifluoromethanesulfonate In methanol at 20℃; for 0.0666667h; | 99% |
| With methanol; 1,3-disulfonic acid imidazolium hydrogen sulfate at 20℃; for 0.116667h; Green chemistry; | 99% |
| With Oxone In methanol for 0.25h; Heating; | 97% |
- 18483-99-3
2-(4-nitrobenzyloxy)tetrahydro-2H-pyran
- 619-73-8
4-nitrobenzyl chloride
| Conditions | Yield |
|---|---|
| With silica-supported NaHSO4 In methanol at 20℃; for 0.166667h; | 99% |
| With bismuth(lll) trifluoromethanesulfonate In methanol for 0.0833333h; Heating; | 96% |
| With silica triflate In methanol for 0.133333h; Heating; | 95% |
- 555-16-8
4-nitrobenzaldehdye
- 62-53-3
aniline
A
- 619-73-8
4-nitrobenzyl chloride
B
- 3460-11-5
4-nitrobenzanilide
| Conditions | Yield |
|---|---|
| Stage #1: aniline With n-butyllithium In tetrahydrofuran; hexane at -78 - 20℃; Inert atmosphere; Stage #2: 4-nitrobenzaldehdye With yttrium(III) chloride In toluene at 20℃; for 48h; Cannizzaro reaction; Inert atmosphere; Stage #3: With hydrogenchloride In water; toluene at 20℃; Inert atmosphere; | A n/a B 99% |
| Conditions | Yield |
|---|---|
| With potassium borohydride; hafnium tetrachloride In tetrahydrofuran at 40℃; for 17.1h; Inert atmosphere; Cooling with ice; | 98% |
| With zirconium(IV) borohydride In tetrahydrofuran at 25℃; for 1h; Reduction; | 97% |
| With [Zn(BH4)2(py)] In tetrahydrofuran for 2.3h; Heating; | 97% |
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Specification
4-Nitrobenzyl alcohol, with CAS number of 619-73-8, can be called (4-Nitrophenyl)methanol; 4-Nitrobenzenemethanol; 4-Nitrobenzyl alcohol; p-(Hydroxymethyl)nitrobenzene; p-Nitrobenzyl alcohol. It belongs to the Product Categories of Fine chemical & intermediates; Benzhydrols, Benzyl & Special Alcohols; Alcohols; C7 to C8; Oxygen Compounds.The Molecular Formula of it is C7H7NO3 and the Molecular Weight is 153.13538.
Physical properties about 4-Nitrobenzyl alcohol are: (1)ACD/LogP: 0.831; (2)ACD/LogD (pH 5.5): 0.83; (3)ACD/LogD (pH 7.4): 0.83; (4)ACD/BCF (pH 5.5): 2.52; (5)ACD/BCF (pH 7.4): 2.52; (6)ACD/KOC (pH 5.5): 67.49; (7)ACD/KOC (pH 7.4): 67.49; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.598; (12)Molar Refractivity: 39.25 cm3; (13)Molar Volume: 115.092 cm3; (14)Polarizability: 15.56 10-24cm3; (15)Surface Tension: 57.0449981689453 dyne/cm; (16)Density: 1.331 g/cm3; (17)Flash Point: 148.078 °C; (18)Enthalpy of Vaporization: 59.389 kJ/mol; (19)Boiling Point: 320.847 °C at 760 mmHg; (20)
When you are using this chemical, please be cautious about it as the following:
1. Do not breathe dust;
2. Avoid contact with skin and eyes;
3. Wear suitable protective clothing, gloves and eye/face protection;
4. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
5. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible);
6. Keep away from sources of ignition - No smoking;
You can still convert the following datas into molecular structure:
(1)InChI=1S/C7H7NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2;
(2)InChIKey=JKTYGPATCNUWKN-UHFFFAOYSA-N;
(3)Smiles[O-][N+](=O)c1ccc(cc1)CO;