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4-Nitrobenzeneethanol

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Name

4-Nitrobenzeneethanol

EINECS 202-835-8
CAS No. 100-27-6 Density 1.27 g/cm3
Solubility <0.01 g/100 mL at 18 °C in water Melting Point 59-62 °C(lit.)
Formula C8H9NO3 Boiling Point 301.8 °C at 760 mmHg
Molecular Weight 167.16 Flash Point 144.5 °C
Transport Information Appearance Yellow to orange crystalline powder
Safety 22-24/25-26-36 Risk Codes 22-36-40-36/37/38
Molecular Structure Molecular Structure of 100-27-6 (Benzeneethanol,4-nitro-) Hazard Symbols IrritantXi, HarmfulXn
Synonyms

2-(4-Nitrophenyl)-1-ethanol;2-(4-Nitrophenyl)ethanol;2-(4-Nitrophenyl)ethylalcohol;2-(p-Nitrophenyl)ethanol;1-(2-Hydroxyethyl)-4-nitrobenzene;4-Nitrophenethyl alcohol;NSC 55519;p-Nitrophenethyl alcohol;p-Nitrophenylethyl alcohol;Phenethylalcohol, p-nitro- (6CI,7CI,8CI);

 

4-Nitrobenzeneethanol Specification

The Benzeneethanol,4-nitro- with CAS registry number of 100-27-6 is also known as 4-Nitrobenzeneethanol. The IUPAC name is 2-(4-Nitrophenyl)ethanol. It belongs to product categories of Aromatic Alcohols and Diols. Its EINECS registry number is 202-835-8. In addition, the formula is C8H9NO3 and the molecular weight is 167.16. This chemical is a yellow to orange crystalline powder that may cause damage to health and may cause inflammation to the skin or other mucous membranes. It can be used as intermediate in organic synthesis.

Physical properties about Benzeneethanol,4-nitro- are: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.09; (4)ACD/LogD (pH 7.4): 1.09; (5)ACD/BCF (pH 5.5): 3.96; (6)ACD/BCF (pH 7.4): 3.96; (7)ACD/KOC (pH 5.5): 93.21; (8)ACD/KOC (pH 7.4): 93.21; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.581; (13)Molar Refractivity: 43.88 cm3; (14)Molar Volume: 131.5 cm3; (15)Surface Tension: 53.6 dyne/cm; (16)Density: 1.27 g/cm3; (17)Flash Point: 144.5 °C; (18)Enthalpy of Vaporization: 57.23 kJ/mol; (19)Boiling Point: 301.8 °C at 760 mmHg; (20)Vapour Pressure: 0.000455 mmHg at 25 °C.

Preparation of Benzeneethanol,4-nitro-: it is prepared by reaction of b-(4-nitrophenyl)ethylnitrat. The reaction needs solvents 30percent aq. HNO3, urea with other condition of heating for 5 hours. The yield is about 97 %.

Benzeneethanol,4-nitro- is prepared by reaction of b-(4-Nitrophenyl)ethylnitrat.

Uses of Benzeneethanol,4-nitro: it is used to produce acetic acid-(4-nitro-phenethyl ester) by reaction with acetic acid anhydride. The reaction occurs with reagents DMAP, pyridine and solvent CH2Cl2. The yield is about 97 %.

Benzeneethanol,4-nitro is used to produce acetic acid-(4-nitro-phenethyl ester) by reaction with acetic acid anhydride.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. Besides, it is harmful if swallowed. However, there is limited evidence of a carcinogenic effect. During using it, wear suitable protective clothing. Do not breathe dust and avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC(=CC=C1CCO)[N+](=O)[O-]
2. InChI: InChI=1S/C8H9NO3/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4,10H,5-6H2
3. InChIKey: IKMXRUOZUUKSON-UHFFFAOYSA-N

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