Reported in EPA TSCA Inventory.
OSHA PEL: TWA 2 ppm (10 mg/m3)(skin)
ACGIH TLV: TWA 2 ppm (skin)
NIOSH REL: (N-Isopropylaniline) TWA 2 ppm (skin)
N-Isopropylaniline is an organic compound with the formula C9H13N, and its systematic name is the same with the product name. With the CAS registry number 768-52-5, it is also named as Aniline, N-isopropyl-. It belongs to the product categories of Amines; C9 to C10; Nitrogen Compounds; Alpha sort; Alphabetic; Aromatics Pesticides & Metabolites; Chemical Class; H-M Analytical Standards. Its EINECS number is 212-196-7. In addition, the molecular weight is 135.21. This product is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides. it is used as a pharmaceutical intermediate.
Physical properties of N-Isopropylaniline are: (1)ACD/LogP: 2.575; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.09; (4)ACD/LogD (pH 7.4): 2.56; (5)ACD/BCF (pH 5.5): 17.47; (6)ACD/BCF (pH 7.4): 52.00; (7)ACD/KOC (pH 5.5): 196.40; (8)ACD/KOC (pH 7.4): 584.42; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.03 Å2; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 45.087 cm3; (15)Molar Volume: 142.28 cm3; (16)Polarizability: 17.874×10-24cm3; (17)Surface Tension: 33.82 dyne/cm; (18)Density: 0.95 g/cm3; (19)Flash Point: 81.29 °C; (20)Enthalpy of Vaporization: 43.922 kJ/mol; (21)Boiling Point: 202.999 °C at 760 mmHg; (22)Vapour Pressure: 0.28 mmHg at 25°C.
Preparation: this chemical can be prepared by aniline and propan-2-one at the ambient temperature. This reaction will need reagents H2, Na2SO4 and solvent cyclohexane. This reaction will also need catalyst 10% Pd/C. The yield is about 95%.
Uses of N-Isopropylaniline: it can be used to produce pentafluorobenzyl-N-isopropylanilateat the temperature of 20 °C. This reaction will need reagent Na2CO3 and solvents H2O, acetone with the reaction time of 5 hours. The yield is about 70%.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and is toxic by inhalation. 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 to wear suitable protective clothing. You should keep the container tightly closed and in a well-ventilated place. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)MILES: CC(C)Nc1ccccc1
(2)Std. InChI: InChI=1S/C9H13N/c1-8(2)10-9-6-4-3-5-7-9/h3-8,10H,1-2H3
(3)Std. InChIKey: FRCFWPVMFJMNDP-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 547mg/kg (547mg/kg) | National Technical Information Service. Vol. OTS0572513, | |
rabbit | LD50 | skin | 3550mg/kg (3550mg/kg) | "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986Vol. 6, Pg. 833, 1991. | |
rat | LC50 | inhalation | 1100mg/m3/4H (1100mg/m3) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | National Technical Information Service. Vol. OTS0572512, |
rat | LD50 | oral | 560mg/kg (560mg/kg) | "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986Vol. 6, Pg. 833, 1991. |
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View