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110763-09-2

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Basic Information
CAS No.: 110763-09-2
Name: 5-CHLORO-1-METHYL-1H-PYRAZOLE-4-CARBONYL CHLORIDE
Molecular Structure:
Molecular Structure of 110763-09-2 (5-CHLORO-1-METHYL-1H-PYRAZOLE-4-CARBONYL CHLORIDE)
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: CorrosiveC
Risk Codes: 34
Safety: 26-36/37/39
Transport Information: UN 3261
PSA: 34.89000
LogP: 1.45250
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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