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CAS No.: | 615-65-6 |
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Name: | 2-Chloro-4-methylaniline |
Article Data: | 27 |
Molecular Structure: | |
Formula: | C7H8ClN |
Molecular Weight: | 141.6 |
Synonyms: | p-Toluidine,2-chloro- (8CI);(2-Chloro-4-methylphenyl)amine;1-Amino-2-chloro-4-methylbenzene;2-Chloro-p-toluidine;3-Chloro-4-aminotoluene;4-Amino-3-chlorotoluene;4-Methyl-2-chloroaniline;NSC60120; |
EINECS: | 210-440-7 |
Density: | 1.18 g/cm3 |
Melting Point: | 7 °C(lit.) |
Boiling Point: | 222.3 °C at 760 mmHg |
Flash Point: | 99.4 °C |
Solubility: | Soluble in ethanol or benzene, slightly soluble in hot water but insoluble in cold water |
Appearance: | clear yellow to pale brown liquid |
Hazard Symbols: | Xn |
Risk Codes: | 20/21/22-36/37/38-33 |
Safety: | 26-45-36/37/39 |
Transport Information: | UN 3429 6.1/PG 3 |
PSA: | 26.02000 |
LogP: | 2.81180 |
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The Benzenamine,2-chloro-4-methyl-, with the CAS registry number 615-65-6, is also known as 4-Amino-2-chlorotoluene. It belongs to the product categories of Intermediates of Dyes and Pigments; Anilines, Aromatic Amines and Nitro Compounds. Its EINECS number is 210-440-7. This chemical's molecular formula is C7H8ClN and molecular weight is 141.60. What's more, its systematic name is 2-Chloro-p-toluidine. Its classification codes are: (1)Mutation data; (2)Skin / Eye Irritant. It is mainly used in the manufacture of organic pigments and pesticides, pharmaceuticals and other organic chemicals synthesis. It should be sealed and stored in a cool and dry place.
Physical properties of Benzenamine,2-chloro-4-methyl- are: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.37; (4)ACD/LogD (pH 7.4): 2.37; (5)ACD/BCF (pH 5.5): 37.09; (6)ACD/BCF (pH 7.4): 37.23; (7)ACD/KOC (pH 5.5): 461.73; (8)ACD/KOC (pH 7.4): 463.49; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 40.2 cm3; (15)Molar Volume: 119.9 cm3; (16)Polarizability: 15.94×10-24cm3; (17)Surface Tension: 42.7 dyne/cm; (18)Density: 1.18 g/cm3; (19)Flash Point: 99.4 °C; (20)Enthalpy of Vaporization: 45.87 kJ/mol; (21)Boiling Point: 222.3 °C at 760 mmHg; (22)Vapour Pressure: 0.103 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-chloro-4-methyl-1-nitro-benzene at the temperature of 20 °C. This reaction will need reagent bis(cyclopentadienyl)titanium(IV) dichloride indium and solvent tetrahydrofuran with the reaction time of 30 min. The yield is about 80%.
Uses of Benzenamine,2-chloro-4-methyl-: it can be used to produce 2-bromo-6-chloro-4-methyl-aniline. It will need reagents Br2, AcOH and solvent methanol with the reaction time of 2 hours. The yield is about 74%.
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, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(ccc1N)C
(2)Std. InChI: InChI=1S/C7H8ClN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3
(3)Std. InChIKey: XGYLSRFSXKAYCR-UHFFFAOYSA-N