Products Categories
CAS No.: | 110763-09-2 |
---|---|
Name: | 5-CHLORO-1-METHYL-1H-PYRAZOLE-4-CARBONYL CHLORIDE |
Molecular Structure: | |
Formula: | C5H4Cl2N2O |
Molecular Weight: | 179.00 |
Synonyms: | 5-Chloro-1-methyl-1H-pyrazole-4-carbonylchloride; |
Density: | 1.55 g/cm3 |
Melting Point: | 50 °C |
Boiling Point: | 255.4 °C at 760 mmHg |
Flash Point: | 108.3 °C |
Hazard Symbols: | C |
Risk Codes: | 34 |
Safety: | 26-36/37/39 |
Transport Information: | UN 3261 |
PSA: | 34.89000 |
LogP: | 1.45250 |
What can I do for you?
Get Best Price
This chemical is called 1H-Pyrazole-4-carbonylchloride, 5-chloro-1-methyl-, and its systematic name is 5-chloro-1-methyl-1H-pyrazole-4-carbonyl chloride. With the molecular formula of C5H4Cl2N2O, its molecular weight is 179.00. The CAS registry number of this chemical is 110763-09-2. Additionally, its product category is Acidhalide.
Other characteristics of the 1H-Pyrazole-4-carbonylchloride, 5-chloro-1-methyl- can be summarised as followings: (1)ACD/LogP: 0.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.33; (4)ACD/LogD (pH 7.4): 0.33; (5)ACD/BCF (pH 5.5): 1.05; (6)ACD/BCF (pH 7.4): 1.05; (7)ACD/KOC (pH 5.5): 36.08; (8)ACD/KOC (pH 7.4): 36.08; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 34.89 Å2; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 39.91 cm3; (15)Molar Volume: 114.8 cm3; (16)Polarizability: 15.82×10-24cm3; (17)Surface Tension: 47.9 dyne/cm; (18)Density: 1.55 g/cm3; (19)Flash Point: 108.3 °C; (20)Enthalpy of Vaporization: 49.29 kJ/mol; (21)Boiling Point: 255.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0163 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical causes burns. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. As it's flammable, keep it away from the sources of ignition.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(Cl)c1cnn(c1Cl)C
2.InChI: InChI=1/C5H4Cl2N2O/c1-9-4(6)3(2-8-9)5(7)10/h2H,1H3
3.InChIKey: XFDCYGXUXLYMNP-UHFFFAOYAB