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Benzenecarboximidicacid, methyl ester

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Name

Benzenecarboximidicacid, methyl ester

EINECS N/A
CAS No. 7471-86-5 Density 1 g/cm3
PSA 33.08000 LogP 1.75810
Solubility N/A Melting Point N/A
Formula C8H9NO Boiling Point 171.1 °C at 760 mmHg
Molecular Weight 135.166 Flash Point 57.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 7471-86-5 (Benzenecarboximidic acid methyl ester) Hazard Symbols N/A
Synonyms

Benzimidicacid, methyl ester (6CI,7CI,8CI);Methyl benzimidate;NSC 402222;

Article Data 22

Benzenecarboximidicacid, methyl ester Specification

The CAS register number of Benzenecarboximidicacid, methyl ester is 7471-86-5. It also can be called as Methyl benzimidate and the systematic name about this chemical is methyl benzenecarboximidate. The molecular formula about this chemical is C8H9NO and the molecular weight is 135.16556.

Physical properties about Benzenecarboximidicacid, methyl ester are: (1)ACD/LogP: 1.42; (2)#H bond acceptors: 2; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 21.59 Å2; (6)Index of Refraction: 1.503; (7)Molar Refractivity: 39.98 cm3; (8)Molar Volume: 135 cm3; (9)Polarizability: 15.84x10-24cm3; (10)Surface Tension: 34.4 dyne/cm; (11)Density: 1 g/cm3; (12)Flash Point: 57.3 °C; (13)Enthalpy of Vaporization: 39.07 kJ/mol; (14)Boiling Point: 171.1 °C at 760 mmHg; (15)Vapour Pressure: 1.89 mmHg at 25 °C.

Uses of Benzenecarboximidicacid, methyl ester: it can be used to produce methyl N-(t-butylcarbonyl)benzenecarboximidate with 2,2-dimethyl-propionyl chloride. This reaction will need reagent of Et3N and solvent of hexane. The reaction time is 25 hours with reaction temperature of 0 °C. The yield is about 70%.

Benzenecarboximidicacid, methyl ester can be used to produce methyl N-(t-butylcarbonyl)benzenecarboximidate with 2,2-dimethyl-propionyl chloride.

You can still convert the following datas into molecular structure:
(1)SMILES: O(C(=[N@H])c1ccccc1)C
(2)InChI: InChI=1/C8H9NO/c1-10-8(9)7-5-3-2-4-6-7/h2-6,9H,1H3/b9-8-
(3)InChIKey: SISQKQNJHCDULL-HJWRWDBZBW
(4)Std. InChI: InChI=1S/C8H9NO/c1-10-8(9)7-5-3-2-4-6-7/h2-6,9H,1H3/b9-8-
(5)Std. InChIKey: SISQKQNJHCDULL-HJWRWDBZSA-N

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