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| CAS No.: | 932-96-7 |
|---|---|
| Name: | 4-Chloro-N-methylaniline |
| Article Data: | 166 |
| Molecular Structure: | |
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| Formula: | C7H8ClN |
| Molecular Weight: | 141.6 |
| Synonyms: | Aniline,p-chloro-N-methyl- (6CI,7CI,8CI);4-Chloro-N-methylaniline;4-Chloro-N-methylbenzenamine;N-(4-Chlorophenyl)-N-methylamine;N-(4-Chlorophenyl)methylamine;N-Methyl-4-chloroaniline;N-Methyl-p-chloroaniline;p-(Methylamino)chlorobenzene;p-Chloro-N-methylaniline; |
| EINECS: | 213-262-8 |
| Density: | 1.171 g/cm3 |
| Boiling Point: | 240.8 °C at 760 mmHg |
| Flash Point: | 99.4 °C |
| Solubility: | soluble in acetone, chloroform and ether |
| Appearance: | clear yellow to yellow-brown liquid |
| Hazard Symbols: |
 Xi, Xn
|
| Risk Codes: | 10-36/37-36/37/38-20/21/22 |
| Safety: | 16-26-36/37/39 |
| Transport Information: | UN 1993 3/PG 3 |
| PSA: | 12.03000 |
| LogP: | 2.45470 |
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Specification
The CAS register number of 4-Chloro-N-methylaniline is 932-96-7. It also can be called as Benzenamine,4-chloro-N-methyl- and the IUPAC name about this chemical is 4-chloro-N-methylaniline. The molecular formula about this chemical is C7H8ClN and molecular weight is 141.60. It belongs to the following product categories, such as Benzene derivatives; Amines; C7; Nitrogen Compounds and so on.
Physical properties about 4-Chloro-N-methylaniline are: (1)ACD/LogP: 2.38; (2)ACD/LogD (pH 5.5): 2.36; (3)ACD/LogD (pH 7.4): 2.38 ; (4)#H bond acceptors: 1; (5)#H bond donors: 1; (6)#Freely Rotating Bonds: 1; (7)Polar Surface Area: 12.03Å2; (8)Index of Refraction: 1.589; (9)Molar Refractivity: 40.75 cm3; (10)Molar Volume: 120.8 cm3; (11)Polarizability: 16.15x10-24cm3; (12)Surface Tension: 39 dyne/cm; (13)Enthalpy of Vaporization: 47.77 kJ/mol; (14)Boiling Point: 240.8 °C at 760 mmHg; (15)Vapour Pressure: 0.0372 mmHg at 25°C.
Preparation: this chemical can be prepared by 4-chloro-N,N-dimethyl-aniline. This reaction will need reagent thallium(III) nitrate and solvent methanol at ambient temperature. The yield is about 36%.
Uses of 4-Chloro-N-methylaniline: it can be used to produce 2-bromo-4-chloro-N-methylaniline at ambient temperature. This reaction will need reagent sodium acetate, bromine and solvent acetic acid with reaction time of 1 hours. The yield is about 87%.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed and it is irritating to eyes, respiratory system and skin, it is also flammable. When you are using it, wear suitable protective clothing, gloves and eye/face protection, you also need keep away from sources of ignition. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: CNc1ccc(Cl)cc1
(2)InChI: InChI=1/C7H8ClN/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,1H3
(3)InChIKey: XCEYKKJMLOFDSS-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C7H8ClN/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,1H3
(5)Std. InChIKey: XCEYKKJMLOFDSS-UHFFFAOYSA-N