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| CAS No.: | 7471-86-5 |
|---|---|
| Name: | Benzenecarboximidic acid methyl ester |
| Article Data: | 22 |
| Molecular Structure: | |
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| Formula: | C8H9NO |
| Molecular Weight: | 135.166 |
| Synonyms: | Benzimidicacid, methyl ester (6CI,7CI,8CI);Methyl benzimidate;NSC 402222; |
| Density: | 1 g/cm3 |
| Boiling Point: | 171.1 °C at 760 mmHg |
| Flash Point: | 57.3 °C |
| PSA: | 33.08000 |
| LogP: | 1.75810 |
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- Total:9 Page 1 of 1 1
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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%.
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