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Name |
1H-Pyrazole,5-chloro-1,3-dimethyl-4-nitro- |
EINECS | N/A |
CAS No. | 13551-73-0 | Density | 1.55g/cm3 |
PSA | 63.64000 | LogP | 1.81330 |
Solubility | N/A | Melting Point |
75 °C |
Formula | C5H6ClN3O2 | Boiling Point | 275.7 °C at 760 mmHg |
Molecular Weight | 175.575 | Flash Point | 120.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | R36/37/38:Irritating to eyes, respiratory system and skin.; | |
Synonyms |
Pyrazole, 5-chloro-1,3-dimethyl-4-nitro- (8CI);1,3-Dimethyl-4-nitro-5-chloropyrazole;5-Chloro-1,3-dimethyl-4-nitro-1H-pyrazole;5-Chloro-1,3-dimethyl-4-nitropyrazole;NSC 130145; |
Article Data | 8 |
The 1H-Pyrazole,5-chloro-1,3-dimethyl-4-nitro-, with CAS registry number 13551-73-0, has the systematic name of 5-chloro-1,3-dimethyl-4-nitro-1H-pyrazole. Besides this, it is also called 1,3-Dimethyl-4-nitro-5-chloropyrazole. And the chemical formula of this chemical is C5H6ClN3O2.
Physical properties of 1H-Pyrazole,5-chloro-1,3-dimethyl-4-nitro-: (1)ACD/LogP: 0.74; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 63.64 Å2; (7)Index of Refraction: 1.625; (8)Molar Refractivity: 39.93 cm3; (9)Molar Volume: 112.8 cm3; (10)Polarizability: 15.83×10-24cm3; (11)Surface Tension: 53.8 dyne/cm; (12)Density: 1.55 g/cm3; (13)Flash Point: 120.6 °C; (14)Enthalpy of Vaporization: 49.35 kJ/mol; (15)Boiling Point: 275.7 °C at 760 mmHg; (16)Vapour Pressure: 0.00841 mmHg at 25°C.
Preparation: this chemical can be prepared by 5-amino-1,3-dimethyl-4-nitropyrazole. This reaction will need reagent aq. HCl. The yield is about 70%.
Uses of 1H-Pyrazole,5-chloro-1,3-dimethyl-4-nitro-: it can be used to produce 3-bromomethyl-5-chloro-1-methyl-4-nitro-1H-pyrazole. This reaction will need reagent Br2 and solvent CCl4. The reaction time is 96 hour(s). The yield is about 47%.
When you are using this chemical, please be cautious about it as the following:
The 1H-Pyrazole,5-chloro-1,3-dimethyl-4-nitro- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: O=[N+]([O-])c1c(nn(c1Cl)C)C
(2)InChI: InChI=1/C5H6ClN3O2/c1-3-4(9(10)11)5(6)8(2)7-3/h1-2H3
(3)InChIKey: WBMBDRIOUHCVAS-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C5H6ClN3O2/c1-3-4(9(10)11)5(6)8(2)7-3/h1-2H3
(5)Std. InChIKey: WBMBDRIOUHCVAS-UHFFFAOYSA-N