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2-Furancarboxylic acid,5-amino-, methyl ester

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Name

2-Furancarboxylic acid,5-amino-, methyl ester

EINECS N/A
CAS No. 22600-30-2 Density 1.255 g/cm3
PSA 65.46000 LogP 1.22960
Solubility N/A Melting Point 132-134 °C
Formula C6H7NO3 Boiling Point 277.9 °C at 760 mmHg
Molecular Weight 141.126 Flash Point 121.9 °C
Transport Information N/A Appearance N/A
Safety 22-24/25 Risk Codes 36/37/38-43
Molecular Structure Molecular Structure of 22600-30-2 (METHYL 5-AMINO-2-FUROATE) Hazard Symbols IrritantXi
Synonyms

2-Furoicacid, 5-amino-, methyl ester (8CI);2-Amino-5-methoxycarbonylfuran;5-Aminofuran-2-carboxylic acid methyl ester;5-Methoxycarbonyl-2-aminofuran;Methyl 2-amino-5-furoate;Methyl 5-amino-2-furancarboxylate;Methyl5-amino-2-furoate;Methyl 5-aminofuran-2-carboxylate;

Article Data 13

2-Furancarboxylic acid,5-amino-, methyl ester Specification

The CAS register number of 2-Furancarboxylic acid,5-amino-, methyl ester is 22600-30-2. It also can be called as 2-Amino-5-methoxycarbonylfuran and the systematic name about this chemical is methyl 5-aminofuran-2-carboxylate. The molecular formula about this chemical is C6H7NO3 and the molecular weight is 141.12. It belongs to the following product categories which include Carboxylicester; Aminoacid and so on.

Physical properties about 2-Furancarboxylic acid,5-amino-, methyl ester are: (1)ACD/LogP: 0.48; (2)ACD/LogD (pH 5.5): 0.48; (3)ACD/LogD (pH 7.4): 0.48; (4)ACD/BCF (pH 5.5): 1.35; (5)ACD/BCF (pH 7.4): 1.35; (6)ACD/KOC (pH 5.5): 43.24; (7)ACD/KOC (pH 7.4): 43.24; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 42.68 Å2; (12)Index of Refraction: 1.527; (13)Molar Refractivity: 34.56 cm3; (14)Molar Volume: 112.4 cm3; (15)Polarizability: 13.7x10-24cm3; (16)Surface Tension: 45.5 dyne/cm; (17)Density: 1.255 g/cm3; (18)Flash Point: 121.9 °C; (19)Enthalpy of Vaporization: 51.65 kJ/mol; (20)Boiling Point: 277.9 °C at 760 mmHg; (21)Vapour Pressure: 0.00439 mmHg at 25 °C.

Preparation: this chemical can be prepared by 5-nitro-furan-2-carboxylic acid methyl ester. This reaction will need reagent of calcium carbonate and catalytic agent of palladium.

2-Furancarboxylic acid,5-amino-, methyl ester can be prepared by 5-nitro-furan-2-carboxylic acid methyl ester.

Uses of 2-Furancarboxylic acid,5-amino-, methyl ester: it can be used to produce 3-hydroxy-6-imino-cyclohexa-1,4-diene-1,2,3-tricarboxylic acid trimethyl ester. This reaction will need reagent of dimethyl acetylenedicarboxylate and solvent of benzene. The yield is about 58%.

2-Furancarboxylic acid,5-amino-, methyl ester can be used to produce 3-hydroxy-6-imino-cyclohexa-1,4-diene-1,2,3-tricarboxylic acid trimethyl ester.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. If you want to use it, do not breathe dust and avoid contact with skin and eyes. If you want to store it, you should keep the container tightly sealed in dry, cool places and avoid contact with oxide. It is slightly hazardous to water. If no official permission, do not put materials into the permission surroundings. If you store and use this chemical according the rule, it will not be decomposed.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1oc(N)cc1
(2)InChI: InChI=1/C6H7NO3/c1-9-6(8)4-2-3-5(7)10-4/h2-3H,7H2,1H3
(3)InChIKey: KLKQGSISBRVCTK-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C6H7NO3/c1-9-6(8)4-2-3-5(7)10-4/h2-3H,7H2,1H3
(5)Std. InChIKey: KLKQGSISBRVCTK-UHFFFAOYSA-N

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