CAS No.2327-45-9,METHYL 5-METHOXY-2-NITROBENZOATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2327-45-9
Name:	METHYL 5-METHOXY-2-NITROBENZOATE
Article Data:	13

Formula:	C₉H₉NO₅
Molecular Weight:	211.174
Synonyms:	m-Anisicacid, 6-nitro-, methyl ester (6CI,7CI,8CI);5-Methoxy-2-nitrobenzoic acidmethyl ester;Methyl 5-methoxy-2-nitrobenzoate;
Density:	1.294 g/cm³
Melting Point:	58-59 °C
Boiling Point:	334.5 °C at 760 mmHg
Flash Point:	157.6 °C
Hazard Symbols:	Xi
PSA:	81.35000
LogP:	1.91320

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Specification

The Benzoic acid,5-methoxy-2-nitro-, methyl ester, with the CAS registry number 2327-45-9, is also known as Methyl 5-methoxy-2-nitrobenzoate 98%. It belongs to the product categories of Blocks; Carboxes; Nitro Compounds; Aromatic Esters; Acids & Esters; Anisoles, Alkyloxy Compounds & Phenylacetates; Nitro Compounds. This chemical's molecular formula is C₉H₉NO₅ and molecular weight is 211.17. Its IUPAC name is called methyl 5-methoxy-2-nitrobenzoate. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties of Benzoic acid,5-methoxy-2-nitro-, methyl ester: (1)ACD/LogP: 1.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.71; (4)ACD/LogD (pH 7.4): 1.71; (5)ACD/BCF (pH 5.5): 11.72; (6)ACD/BCF (pH 7.4): 11.72; (7)ACD/KOC (pH 5.5): 202.62; (8)ACD/KOC (pH 7.4): 202.62; (9)#H bond acceptors: 6; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.54; (12)Molar Refractivity: 51.25 cm³; (13)Molar Volume: 163.1 cm³; (14)Surface Tension: 45.7 dyne/cm; (15)Density: 1.294 g/cm³; (16)Flash Point: 157.6 °C; (17)Enthalpy of Vaporization: 57.75 kJ/mol; (18)Boiling Point: 334.5 °C at 760 mmHg; (19)Vapour Pressure: 0.000127 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1cc(c(cc1)N(=O)=O)C(=O)OC
(2)InChI: InChI=1/C9H9NO5/c1-14-6-3-4-8(10(12)13)7(5-6)9(11)15-2/h3-5H,1-2H3
(3)InChIKey: UAPJKEJWOPOJJY-UHFFFAOYAX