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CAS No.: | 7149-80-6 |
---|---|
Name: | 5-CHLORO-4-METHYL-2-NITROANILINE |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C7H7ClN2O2 |
Molecular Weight: | 186.598 |
Synonyms: | 5-Chloro-2-nitro-p-toluidine;5-Chloro-4-methyl-1-amino-2-nitrobenzene;5-Chloro-4-methyl-2-nitroaniline;NSC72334; |
Density: | 1.415 g/cm3 |
Melting Point: | 159-163 °C |
Boiling Point: | 339.3 °C at 760 mmHg |
Flash Point: | 159 °C |
Appearance: | orange-brown crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 37/39-26 |
PSA: | 71.84000 |
LogP: | 3.24320 |
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The Benzenamine,5-chloro-4-methyl-2-nitro-, with the CAS registry number 7149-80-6, is also known as 5-Chloro-4-methyl-1-amino-2-nitrobenzene. It belongs to the product category of Amines and Anilines. This chemical's molecular formula is C7H7ClN2O2 and molecular weight is 186.6. What's more, its systematic name is 5-chloro-4-methyl-2-nitroaniline. It should be sealed and stored in a cool and dry place.
Physical properties of Benzenamine,5-chloro-4-methyl-2-nitro- are: (1)ACD/LogP: 3.22; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 49.06 Å2; (7)Index of Refraction: 1.627; (8)Molar Refractivity: 46.75 cm3; (9)Molar Volume: 131.7 cm3; (10)Polarizability: 18.53×10-24cm3; (11)Surface Tension: 57 dyne/cm; (12)Density: 1.415 g/cm3; (13)Flash Point: 159 °C; (14)Enthalpy of Vaporization: 58.27 kJ/mol; (15)Boiling Point: 339.3 °C at 760 mmHg; (16)Vapour Pressure: 9.3E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by 2,4-dichloro-5-nitro-toluene at the temperature of 120 °C. This reaction will need reagent NH3 (liquid) and solvents propan-2-ol, H2O with the reaction time of 6 hours. The yield is about 63.7%.
Uses of Benzenamine,5-chloro-4-methyl-2-nitro-: it can be used to produce 5-chloro-4,N-dimethyl-2-nitroaniline. It will need solvent toluene with the reaction time of 4 hours. The yield is about 44%.
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 and gloves.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(c([N+]([O-])=O)cc1C)N
(2)InChI: InChI=1S/C7H7ClN2O2/c1-4-2-7(10(11)12)6(9)3-5(4)8/h2-3H,9H2,1H3
(3)InChIKey: BBWHBSDZHSQECL-UHFFFAOYSA-N