Methyl 2-hydroxy-4-nitrobenzoate supplier

Name
METHYL 2-HYDROXY-4-NITROBENZOATE
EINECS
CAS No. 13684-28-1
Article Data21
CAS DataBase
Density 1.432 g/cm³
Solubility
Melting Point 101-102 °C
Formula C₈H₇NO₅
Boiling Point 324.5 °C at 760 mmHg
Molecular Weight 197.147
Flash Point 150.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Salicylicacid, 4-nitro-, methyl ester (7CI,8CI);2-Hydroxy-4-nitrobenzoic acid methylester;NSC 165605;
PSA 92.35000
LogP 1.61020

Methyl 2-hydroxy-4-nitrobenzoate Specification

The Benzoic acid,2-hydroxy-4-nitro-, methyl ester, also known as NSC165605, is the organic compound with the formula C₈H₇NO₅. With the CAS registry number 13684-28-1, its IUPAC name is methyl 2-hydroxy-4-nitrobenzoate.

Physical properties of Benzoic acid,2-hydroxy-4-nitro-, methyl ester: (1)ACD/LogP: 2.55; (2)ACD/LogD (pH 5.5): 2.55; (3)ACD/LogD (pH 7.4): 2.47; (4)ACD/BCF (pH 5.5): 51.1; (5)ACD/BCF (pH 7.4): 42.42; (6)ACD/KOC (pH 5.5): 581.01; (7)ACD/KOC (pH 7.4): 482.26; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.59; (12)Molar Refractivity: 46.45 cm³; (13)Molar Volume: 137.5 cm³; (14)Surface Tension: 59.7 dyne/cm; (15)Density: 1.432 g/cm³; (16)Flash Point: 150.1 °C; (17)Enthalpy of Vaporization: 58.91 kJ/mol; (18)Boiling Point: 324.5 °C at 760 mmHg; (19)Vapour Pressure: 0.000129 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])O
(2)InChI: InChI=1S/C8H7NO5/c1-14-8(11)6-3-2-5(9(12)13)4-7(6)10/h2-4,10H,1H3
(3)InChIKey: DODUOCYKSQVFSW-UHFFFAOYSA-N

Product Name

METHYL 2-HYDROXY-4-NITROBENZOATE

Methyl 2-hydroxy-4-nitrobenzoate Specification

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