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3-Isopropoxyaniline

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Name

3-Isopropoxyaniline

EINECS N/A
CAS No. 41406-00-2 Density 1.014 g/cm3
PSA 35.25000 LogP 2.63720
Solubility N/A Melting Point N/A
Formula C9H13NO Boiling Point 259.2 °C at 760 mmHg
Molecular Weight 151.208 Flash Point 114.7 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 41406-00-2 (3-ISOPROPOXYANILINE) Hazard Symbols IrritantXi
Synonyms

3-(Isopropyloxy)aniline;3-Isopropoxyaniline;3-Isopropoxybenzenamine;m-(Isopropyloxy)aniline;m-Aminophenyl isopropyl ether;m-Isopropoxyaniline;3-(Propan-2-yloxy)aniline;

Article Data 11

3-Isopropoxyaniline Specification

The Benzenamine,3-(1-methylethoxy)-, with the CAS registry number 41406-00-2, is also known as 3-Isopropoxybenzenamine. It belongs to the product categories of Amines; C9 to C10; Nitrogen Compounds. This chemical's molecular formula is C9H13NO and molecular weight is 151.21. What's more, its systematic name is 3-(propan-2-yloxy)aniline. It should be sealed and stored in a cool and dry place. It is used as pharmaceutical intermediates.

Physical properties of Benzenamine,3-(1-methylethoxy)- are: (1)ACD/LogP: 1.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.67; (4)ACD/LogD (pH 7.4): 1.71; (5)ACD/BCF (pH 5.5): 10.65; (6)ACD/BCF (pH 7.4): 11.79; (7)ACD/KOC (pH 5.5): 183.7; (8)ACD/KOC (pH 7.4): 203.43; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 46.39 cm3; (15)Molar Volume: 149.1 cm3; (16)Polarizability: 18.39×10-24cm3; (17)Surface Tension: 36.5 dyne/cm; (18)Density: 1.014 g/cm3; (19)Flash Point: 114.7 °C; (20)Enthalpy of Vaporization: 49.69 kJ/mol; (21)Boiling Point: 259.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0131 mmHg at 25°C.

Uses of Benzenamine,3-(1-methylethoxy)-: it can be used to produce 4-chloro-pyridine-3-sulfonic acid (3-isopropoxy-phenyl)-amide at the temperature of 20 °C. It will need reagent triethylamine and solvent dioxane with the reaction time of 1 hour. The yield is about 46%.

Benzenamine,3-(1-methylethoxy)- can be used to produce 4-chloro-pyridine-3-sulfonic acid (3-isopropoxy-phenyl)-amide at the temperature of 20 °C

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1cccc(c1)N)C(C)C
(2)InChI: InChI=1S/C9H13NO/c1-7(2)11-9-5-3-4-8(10)6-9/h3-7H,10H2,1-2H3
(3)InChIKey: QMGBIPKOKCSUCL-UHFFFAOYSA-N

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