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7779-77-3

Basic Information
CAS No.: 7779-77-3
Name: Isobutyl anthranilate
Article Data: 6
Molecular Structure:
Molecular Structure of 7779-77-3 (Isobutyl anthranilate)
Formula: C11H15NO2
Molecular Weight: 193.246
Synonyms: Anthranilicacid, isobutyl ester (8CI);Isobutyl anthranilate;Isobutyl o-aminobenzoate;
EINECS: 231-938-0
Density: 1.076 g/cm3
Boiling Point: 290.6 °C at 760 mmHg
Flash Point: 147.9 °C
Solubility: Insoluble in water
Appearance: brown liquid
Hazard Symbols: Xi
PSA: 52.32000
LogP: 2.66280
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  • Isobutyl anthranilate

  • Casno:

    7779-77-3

    Isobutyl anthranilate

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    1.We have rich experience in the development and production 2.Our factory is in Shanghai of China,We have convenient traffic conditions.3.We have advanced testing equipment and shipping line. Package:5g, 10g, 50g, 100g, 1kg Application:Pharmaceutical

    Shanghai fine pharma co., Ltd. is a professional enterprise with chemical reagents and fine chemical products development, development and trade. The company has a sound research a

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    Tel:+86-21-31576854/57171705 / 57171706

    Address:second floor, building 3, No.999, jiangyue Road, minghang District, Shanghai, China

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  • Isobutyl anthranilate

  • Casno:

    7779-77-3

    Isobutyl anthranilate

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    FOB Price:  USD $ 0.0-0.0

    Prime Molecular Co., Ltd. is a high-tech enterprise providing comprehensive customer service for pharmaceutical companies at home and abroad in accordance with international standards. Two R&D centers and two production sites in China, all well-equip

    Prime Molecular Co., Ltd. is an advanced chemical intermediates manufacture with ?two R&D centers and two production sites in China, all well-equipped with dedicated and profession

  • PRIME MOLECULAR CO.,LIMITED

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    Tel:0852-0755-61104662

    Address:Hong Kong

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  • Isobutyl anthranilate

  • Casno:

    7779-77-3

    Isobutyl anthranilate

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Application:Pharmaceutical intermediates

    Located in Jinan Hi-tech Development Park, Jinan Great Chemical Co.,Ltd. is a hi-tech enterprise of Shandong province. At present, Guruite is a large-scale hi-tech enterprise focus

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    Business Type:Lab/Research institutions

    Tel:+86-531-58668191 58668193 58668196 58661173

    Address:No 55,Beixiaoxinzhuang West Street,Jinan City, Shandong Province

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  • Isobutyl anthranilate

  • Casno:

    7779-77-3

    Isobutyl anthranilate

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    High quality Application:Pharmaceutial

    Chamflyer Chemicals Co.Ltd is a fine organics manufacturing facility which located in Shanghai. We produce a wide range of boronic acids, pyridines, quinolines, indoles, oxazoles,

  • Shanghai chamflyer chemicals Co., Ltd

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    Tel:+86-21-60545191

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Specification

The CAS register number of Isobutyl anthranilate is 7779-77-3. It also can be called as Benzoic acid, 2-amino-,2-methylpropyl ester and the IUPAC name about this chemical is 2-methylpropyl 2-aminobenzoate. The molecular formula about this chemical is C11H15NO2 and the molecular weight is 193.24.

Physical properties about Isobutyl anthranilate are: (1)ACD/LogP: 3.45; (2)ACD/LogD (pH 5.5): 3.45; (3)ACD/LogD (pH 7.4): 3.45; (4)ACD/BCF (pH 5.5): 246.06; (5)ACD/BCF (pH 7.4): 246.06; (6)ACD/KOC (pH 5.5): 1791.06; (7)ACD/KOC (pH 7.4): 1791.08; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 29.54Å2; (12)Index of Refraction: 1.537; (13)Molar Refractivity: 56.11 cm3; (14)Molar Volume: 179.5 cm3; (15)Polarizability: 22.24x10-24cm3; (16)Surface Tension: 41.1 dyne/cm; (17)Enthalpy of Vaporization: 52.99 kJ/mol; (18)Boiling Point: 290.6 °C at 760 mmHg; (19)Vapour Pressure: 0.00206 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-nitro-benzoic acid isobutyl ester. This reaction will need reagent H2, PtO2 and solvent various solvent(s). The yield is about 86.3%.

Uses of Isobutyl anthranilate: it can be used to produce diethyl [o-(isobutoxycarbonyl)phenyl]phosphoramidite with phosphorochloridous acid diethyl ester at ambient temperature. This reaction will need reagent triethylamine and solvent benzene with reaction time of 2 hours. The yield is about 33%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC(C)C)c1ccccc1N
(2)InChI: InChI=1/C11H15NO2/c1-8(2)7-14-11(13)9-5-3-4-6-10(9)12/h3-6,8H,7,12H2,1-2H3
(3)InChIKey: ILCLJQFCMRCPNM-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C11H15NO2/c1-8(2)7-14-11(13)9-5-3-4-6-10(9)12/h3-6,8H,7,12H2,1-2H3
(5)Std. InChIKey: ILCLJQFCMRCPNM-UHFFFAOYSA-N