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1H-Pyrazole-4-carbonylchloride, 5-chloro-1-methyl-

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Name

1H-Pyrazole-4-carbonylchloride, 5-chloro-1-methyl-

EINECS N/A
CAS No. 110763-09-2 Density 1.55 g/cm3
PSA 34.89000 LogP 1.45250
Solubility N/A Melting Point 50 °C
Formula C5H4Cl2N2O Boiling Point 255.4 °C at 760 mmHg
Molecular Weight 179.00 Flash Point 108.3 °C
Transport Information UN 3261 Appearance N/A
Safety 26-36/37/39 Risk Codes 34
Molecular Structure Molecular Structure of 110763-09-2 (5-CHLORO-1-METHYL-1H-PYRAZOLE-4-CARBONYL CHLORIDE) Hazard Symbols CorrosiveC
Synonyms

5-Chloro-1-methyl-1H-pyrazole-4-carbonylchloride;

 

1H-Pyrazole-4-carbonylchloride, 5-chloro-1-methyl- Specification

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

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