CAS No.41406-00-2,3-ISOPROPOXYANILINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	41406-00-2
Name:	3-ISOPROPOXYANILINE
Article Data:	11

Formula:	C₉H₁₃NO
Molecular Weight:	151.208
Synonyms:	3-(Isopropyloxy)aniline;3-Isopropoxyaniline;3-Isopropoxybenzenamine;m-(Isopropyloxy)aniline;m-Aminophenyl isopropyl ether;m-Isopropoxyaniline;3-(Propan-2-yloxy)aniline;
Density:	1.014 g/cm³
Boiling Point:	259.2 °C at 760 mmHg
Flash Point:	114.7 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	35.25000
LogP:	2.63720

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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