CAS No.768-52-5,N-Isopropylaniline Suppliers

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Basic Information

Molecular Structure:
CAS No.:	768-52-5
Name:	N-Isopropylaniline
Article Data:	148

Formula:	C₉H₁₃N
Molecular Weight:	135.209
Synonyms:	Aniline,N-isopropyl- (6CI,7CI,8CI);Isopropylphenylamine;N-(1-Methylethyl)benzenamine;N-(1-Methylethyl)phenylamine;N-Isopropylaniline;N-Isopropylbenzenamine;N-Phenyl-N-(1-methylethyl)amine;N-Phenylisopropylamine;
EINECS:	212-196-7
Density:	0.95 g/cm³
Melting Point:	-32°C
Boiling Point:	202.999 °C at 760 mmHg
Flash Point:	81.29 °C
Solubility:	slightly soluble in water
Appearance:	Clear brown liquid
Hazard Symbols:	T
Risk Codes:	22-23-36/37/38
Safety:	26-36-45-7/9
Transport Information:	UN 2810
PSA:	12.03000
LogP:	2.57990

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Consensus Reports

Reported in EPA TSCA Inventory.

Standards and Recommendations

OSHA PEL: TWA 2 ppm (10 mg/m³)(skin)
ACGIH TLV: TWA 2 ppm (skin)
NIOSH REL: (N-Isopropylaniline) TWA 2 ppm (skin)

Specification

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%.

N-Isopropylaniline can be prepared by aniline and propan-2-one at the ambient temperature

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%.

N-Isopropylaniline can be used to produce pentafluorobenzyl-N-isopropylanilateat the temperature of 20 °C

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.