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Methyl 3-hydroxy-5-nitrobenzoate

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Name

Methyl 3-hydroxy-5-nitrobenzoate

EINECS N/A
CAS No. 55076-32-9 Density 1.432 g/cm3
PSA 92.35000 LogP 1.61020
Solubility N/A Melting Point 154-156 °C
Formula C8H7NO5 Boiling Point 377.2 °C at 760 mmHg
Molecular Weight 197.147 Flash Point 181.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 55076-32-9 (methyl 3-hydroxy-5-nitro-benzoate) Hazard Symbols N/A
Synonyms

Methyl 3-hydroxy-5-nitrobenzoate;Methyl 3-nitro-5-hydroxybenzoate;NSC 44299;

Article Data 8

Methyl 3-hydroxy-5-nitrobenzoate Specification

The Benzoic acid,3-hydroxy-5-nitro-, methyl ester, with the CAS registry number 55076-32-9, is also known as Methyl 3-nitro-5-hydroxybenzoate. This chemical's molecular formula is C8H7NO5 and molecular weight is 197.14. What's more, its systematic name is Methyl 3-hydroxy-5-nitrobenzoate.

Physical properties of Benzoic acid,3-hydroxy-5-nitro-, methyl ester are: (1)ACD/LogP: 2.23; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 81.35 Å2; (7)Index of Refraction: 1.59; (8)Molar Refractivity: 46.45 cm3; (9)Molar Volume: 137.5 cm3; (10)Polarizability: 18.41×10-24 cm3; (11)Surface Tension: 59.7 dyne/cm; (12)Density: 1.432 g/cm3; (13)Flash Point: 181.9 °C; (14)Enthalpy of Vaporization: 64.94 kJ/mol; (15)Boiling Point: 377.2 °C at 760 mmHg; (16)Vapour Pressure: 3.17E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by methanol and 3-hydroxy-5-nitro-benzoic acid at the ambient temperature. This reaction will need reagent AcCl with the reaction time of 18 hours. The yield is about 82.4%.

Benzoic acid,3-hydroxy-5-nitro-, methyl ester can be prepared by methanol and 3-hydroxy-5-nitro-benzoic acid at the ambient temperature

Uses of Benzoic acid,3-hydroxy-5-nitro-, methyl ester: it can be used to produce methyl a-(tert-butoxycarbonyl)-5-nitro-m-anisate by heating. It will need reagent NaH and solvent tetrahydrofuran with the reaction time of 8 hours. The yield is about 81%.

Benzoic acid,3-hydroxy-5-nitro-, methyl ester can be used to produce methyl a-(tert-butoxycarbonyl)-5-nitro-m-anisate by heating

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(cc(O)c1)C(=O)OC
(2)InChI: InChI=1S/C8H7NO5/c1-14-8(11)5-2-6(9(12)13)4-7(10)3-5/h2-4,10H,1H3
(3)InChIKey: HTYJYEKZUXJKKW-UHFFFAOYSA-N

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