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| CAS No.: | 612-25-9 |
|---|---|
| Name: | 2-Nitrobenzyl alcohol |
| Article Data: | 197 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H7NO3 |
| Molecular Weight: | 153.137 |
| Synonyms: | Benzylalcohol, o-nitro- (6CI,7CI,8CI);2-Nitrobenzenemethanol;NSC 66512;o-(Hydroxymethyl)nitrobenzene;o-Nitrobenzyl alcohol; |
| EINECS: | 210-302-6 |
| Density: | 1.33 g/cm3 |
| Melting Point: | 69-72 °C(lit.) |
| Boiling Point: | 270 °C at 760 mmHg |
| Flash Point: | 131.1 °C |
| Solubility: | Soluble in water 5000 mg/L 20 deg Celsius. |
| Appearance: | white to light yellow crystal powder |
| Hazard Symbols: |
 Xi,  C,  F
|
| Risk Codes: | 11-34 |
| Safety: | 22-24/25-45-36/37/39-26-16 |
| Transport Information: | UN 2811 6.1/PG 3 |
| PSA: | 66.05000 |
| LogP: | 1.61030 |
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| Conditions | Yield |
|---|---|
| With magnesium(II) perchlorate; polymer-bound NADH (2a) In acetonitrile; benzene at 80℃; for 120h; Further byproducts given; | 100% |
| With boron trifluoride diethyl etherate In tetrahydrofuran at 0℃; | 100% |
| With zirconium dioxide hydrate; isopropyl alcohol at 60℃; for 0.1h; Meerwein-Ponndorf-Verley Reduction; | 100% |
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate In 1,4-dioxane; water for 2h; Ambient temperature; | 100% |
| With sodium tetrahydroborate; zinc phthalocyanine In PEG-400 at 100℃; for 10h; | 97% |
| With zinc(II) tetrahydroborate; cyclohexene In tetrahydrofuran for 3h; Heating; | 80% |
- 612-25-9
2-Nitrobenzyl alcohol
| Conditions | Yield |
|---|---|
| With water | 100% |
- 62673-13-6
o-Nitrobenzyloxytrimethylsilane
- 612-25-9
2-Nitrobenzyl alcohol
| Conditions | Yield |
|---|---|
| With Oxone In methanol for 0.25h; Heating; | 98% |
| With methanol; 1,3-disulfonic acid imidazolium hydrogen sulfate at 20℃; for 0.0833333h; Green chemistry; | 98% |
| With tris[trinitratocerium(IV)] paraperiodate at 20℃; for 0.0166667h; | 95% |
| Conditions | Yield |
|---|---|
| Stage #1: ortho-nitrobenzoic acid With 4-methyl-morpholine; 1,3,5-trichloro-2,4,6-triazine In 1,2-dimethoxyethane at 20℃; for 3h; Esterification; Stage #2: With sodium tetrahydroborate In water at 0℃; Reduction; | 97% |
| Stage #1: ortho-nitrobenzoic acid With sodium aminodiboranate In tetrahydrofuran at 20℃; Stage #2: With water | 92% |
| With pyridine; methanol; sodium tetrahydroborate; trifluoro-[1,3,5]triazine 1.) CH2Cl2, -20 to -010 deg C, 1 h, 2.) room temperature, 10-15 min; Yield given. Multistep reaction; | |
| With lithium aluminium tetrahydride In diethyl ether at 0℃; for 2h; | 85 % Turnov. |
| Multi-step reaction with 2 steps 1: thionyl chloride; N,N-dimethyl-formamide / dichloromethane / 20 °C 2: sodium tetrahydroborate / tetrahydrofuran; N,N-dimethyl-formamide / 0 - 20 °C View Scheme |
- 18483-88-0
o-(NO2)C6H4CH2OTHP
- 612-25-9
2-Nitrobenzyl alcohol
| Conditions | Yield |
|---|---|
| With bismuth(lll) trifluoromethanesulfonate In methanol for 0.0833333h; Heating; | 97% |
| With tetra-N-butylammonium tribromide In methanol at 20℃; for 0.5h; | 95% |
| With Oxone In methanol for 1h; Heating; | 94% |
| With silica triflate In methanol for 0.166667h; Heating; | 90% |
| With dihydrogen peroxide; vanadia In water; acetonitrile for 0.25h; Heating; | 97 % Chromat. |
- 612-25-9
2-Nitrobenzyl alcohol
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate In tetrahydrofuran at 20℃; for 2.5h; | 95% |
- 1058649-36-7
2-nitro-1-[(ethoxymethoxy)methyl]benzene
- 612-25-9
2-Nitrobenzyl alcohol
| Conditions | Yield |
|---|---|
| phosphotungstic acid In ethanol for 2h; Heating; | 89% |
- 1058649-34-5
C9H11NO4
- 612-25-9
2-Nitrobenzyl alcohol
| Conditions | Yield |
|---|---|
| With niobium pentachloride In acetonitrile at 0 - 20℃; for 1h; | 88% |
| phosphotungstic acid In ethanol for 2h; Heating; | 86% |
| Conditions | Yield |
|---|---|
| With (1,4-diazabicyclo{2.2.2}-octane)zinc(II) tetrahydoborate In tetrahydrofuran for 0.08h; Ambient temperature; | 87% |
| With sodium tetrahydroborate In tetrahydrofuran; N,N-dimethyl-formamide at 0 - 20℃; |
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Specification
The 2-NITROBENZYL ALCOHOL , with the register number 612-25-9, is also known to us as rarechem al bd 0186;o-nitrobenzyl alcohol;o-nitrophenylcarbinol;labotest-bb lt01997457;(2-nitrophenyl)methanol;2-nitrobenzyl alcohol;2-nitro-benzenemethano;2-nitrobenzenemethanol .
The physical properties of this kind of chemcial are as following: (1)#H bond acceptors: 4 ; (2)#H bond donors: 1 ; (3)#Freely Rotating Bonds: 3 ; (4)Polar Surface Area: 55.05 ; (5)Index of Refraction: 1.597 ; (6)Molar Refractivity: 39.24 cm3 ; (7)Molar Volume: 115 cm3 ; (8)Polarizability: 15.55 ×10-24 cm3 ; (9)Surface Tension: 57 dyne/cm ; (10)Density: 1.33 g/cm3 ; (11)Flash Point: 131.1 °C ; (12)Enthalpy of Vaporization: 53.68 kJ/mol ; (13)Boiling Point: 270 °C at 760 mmHg ; (14)Vapour Pressure: 0.00346 mmHg at 25°C .
It is a kind of white to light yellow crystal powder. As for its usage, it has various products categories: alcohols;c7 to c8;oxygen compounds. Being an irritant chemicals, it may cause inflammation to the skin or other mucous membranes. Besides, it is highly flammable and may catch fire in contact with air, only needing brief contact with an ignition source, for it has a very low flash point or evolve highly flammable gases in contact with water. What's more, it is corrosive as it may destroy living tissue on contact. Beside, its raw materials are including sodium carbonate, Bromine, 2-Nitrotoluene, and so on.
So while dealing with it, you should be very cautious. First, do not breathe dust; Secondly, avoid contacting with skin and eyes and if in case of accident or if you feel unwell seek medical advice immediately (show the label where possible). What's more, you should wear suitable protective clothing, gloves and eye/face protection; If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice; And remember to keep away from sources of ignition - No smoking. If you need more safety information, you could refer to the WGK Germany 3.
In addition, you could refer to the following data information to get the molecular structure:
SMILES:[O-][N+](=O)c1ccccc1CO
InChI:InChI=1/C7H7NO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,9H,5H2
InChIKey:BWRBVBFLFQKBPT-UHFFFAOYAQ