Name: 2-(HYDROXYMETHYL)-4-NITROBENZENOL
SKU: 39224-61-8

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Basic Information

Molecular Structure:
CAS No.:	39224-61-8
Name:	2-(HYDROXYMETHYL)-4-NITROBENZENOL
Article Data:	39

Formula:	C₇H₇NO₄
Molecular Weight:	169.137
Synonyms:	2-Hydroxy-5-nitrobenzyl alcohol;5-Nitro-2-hydroxybenzyl alcohol;5-Nitrosalicylalcohol;Benzylalcohol, 2-hydroxy-5-nitro- (7CI);2-Hydroxymethyl-4-nitrophenol;
Density:	1.489 g/cm³
Melting Point:	123-127 °C(lit.)
Boiling Point:	322.8 °C at 760 mmHg
Flash Point:	147.5 °C

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Specification

The Benzenemethanol, 2-hydroxy-5-nitro-, with the CAS registry number 39224-61-8, is also known as 2-Hydroxy-5-nitrobenzyl alcohol. It belongs to the product categories of Benzhydrols, Benzyl & Special Alcohols; Alcohols; C7 to C8; Oxygen Compounds. This chemical's molecular formula is C₇H₇NO₄ and molecular weight is 169.13. What's more, its IUPAC name is 2-(Hydroxymethyl)-4-nitrophenol. In addition, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Benzenemethanol, 2-hydroxy-5-nitro- are: (1)ACD/LogP: 0.39 ; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.37; (4)ACD/LogD (pH 7.4): -0.17; (5)ACD/BCF (pH 5.5): 1.12; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 37.44; (8)ACD/KOC (pH 7.4): 10.74; (9)#H bond acceptors: 5 ; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4 ; (12)Polar Surface Area: 64.28 Å²; (13)Index of Refraction: 1.644; (14)Molar Refractivity: 41.13 cm³; (15)Molar Volume: 113.5 cm³; (16)Polarizability: 16.3×10^-24 cm³; (17)Surface Tension: 72.5 dyne/cm; (18)Density: 1.489 g/cm³; (19)Flash Point: 147.5 °C; (20)Enthalpy of Vaporization: 58.72 kJ/mol; (21)Boiling Point: 322.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000145 mmHg at 25 °C.

Preparation of Benzenemethanol, 2-hydroxy-5-nitro-: this chemical is prepared by 2-Hydroxy-5-nitro-benzoic acid. The reaction needs reagent LiAlH₄ and the yield is about 45 %.

Benzenemethanol, 2-hydroxy-5-nitro-can be obtained by 2-Hydroxy-5-nitro-benzoic acid

Uses of Benzenemethanol, 2-hydroxy-5-nitro-: it is used to produce other chemicals. For example, it is used to produce 5-Amino-2-hydroxy-benzyl alcohol. This reaction needs reagent H₂, catalyst Pd-C and solvent Methanol. The reaction time is 5 hours and the yield is about 97 %.

Benzenemethanol, 2-hydroxy-5-nitro- can be produced 5-Amino-2-hydroxy-benzyl alcohol

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1ccc(O)c(c1)CO
(2) InChI: InChI=1/C7H7NO4/c9-4-5-3-6(8(11)12)1-2-7(5)10/h1-3,9-10H,4H2
(3) InChIKey: JEIYIXDNZKATLC-UHFFFAOYAK