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4-Nitrobenzyl alcohol

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Name

4-Nitrobenzyl alcohol

EINECS 210-611-6
CAS No. 619-73-8 Density 1.33 g/cm3
PSA 66.05000 LogP 1.61030
Solubility Soluble in water (2 mg/ml at 20°C). Melting Point 92-94 °C(lit.)
Formula C7H7NO3 Boiling Point 320.8 °C at 760 mmHg
Molecular Weight 153.137 Flash Point 148.1 °C
Transport Information N/A Appearance white to light yellow crystal powder
Safety 22-24/25-36/37/39-26-45-16 Risk Codes 36/37/38-34-11
Molecular Structure Molecular Structure of 619-73-8 (4-Nitrobenzyl alcohol) Hazard Symbols IrritantXi, CorrosiveC, FlammableF
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;

Article Data 479

4-Nitrobenzyl alcohol Synthetic route

555-16-8

4-nitrobenzaldehdye

619-73-8

4-nitrobenzyl chloride

Conditions
ConditionsYield
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%
122-04-3

4-nitro-benzoyl chloride

619-73-8

4-nitrobenzyl chloride

Conditions
ConditionsYield
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%
555-16-8

4-nitrobenzaldehdye

A

619-73-8

4-nitrobenzyl chloride

B

C38H40N2OSi2

Conditions
ConditionsYield
With 8-(N,N-dimethylaminomethyl)-1-naphthyl-(Ph)SiH2 at 25℃; for 12h;A 100%
B n/a

C28H24BN4O12(1-)*Na(1+)

619-73-8

4-nitrobenzyl chloride

Conditions
ConditionsYield
With water100%
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
ConditionsYield
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%
619-90-9

4-nitrobenzyl acetate

619-73-8

4-nitrobenzyl chloride

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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%
62-23-7

4-nitro-benzoic acid

619-73-8

4-nitrobenzyl chloride

Conditions
ConditionsYield
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%

4-Nitrobenzyl alcohol 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;

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