-
Name
1,3-Dimethyl-1H-pyrazole-5-carbonyl chloride
- EINECS
- CAS No. 55458-67-8
- Article Data14
- CAS DataBase
- Density 1.31 g/cm3
- Solubility
- Melting Point
- Formula C6H7ClN2O
- Boiling Point 250.2 °C at 760 mmHg
- Molecular Weight 158.587
- Flash Point 105.1 °C
- Transport Information 3261
- Appearance
- Safety 26-36/37/39-45
- Risk Codes R34
-
Molecular Structure
-
Hazard Symbols
C; 
Xi
- Synonyms 1,3-Dimethyl-1H-pyrazole-5-carbonylchloride;1,3-Dimethylpyrazole-5-carbonyl chloride;2,5-Dimethyl-2H-pyrazole-3-carbonylchloride;
- PSA 34.89000
- LogP 1.10750
1,3-Dimethyl-1H-pyrazole-5-carbonyl chloride Specification
The 1,3-Dimethyl-1H-pyrazole-5-carbonyl chloride, its cas register number is 55458-67-8. It also can be called as 1H-Pyrazole-5-carbonylchloride, 1,3-dimethyl- and the IUPAC name about this chemical is 2,5-Dimethylpyrazole-3-carbonyl chloride. It belongs to the following product categories, such as Acidhalide and Heterocycle.
Following are the chemical properties about 1,3-Dimethyl-1H-pyrazole-5-carbonyl chloride: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 34.89Å2; (5)Index of Refraction: 1.571; (6)Molar Refractivity: 39.73 cm3; (7)Molar Volume: 120.7 cm3; (8)Polarizability: 15.75x10-24cm3; (9)Surface Tension: 40.4 dyne/cm; (10)Enthalpy of Vaporization: 48.74 kJ/mol; (11)Vapour Pressure: 0.022 mmHg at 25°C
The 1,3-Dimethyl-1H-pyrazole-5-carbonyl chloride is a dangerous chemical, because it could causes burns. In the using process, please be more careful, you need to wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice and in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) .Hazard Note about this chemical is Irritant/Corrosive.
This chemical can be described computed from structure:
(1)Canonical SMILES: CC1=NN(C(=C1)C(=O)Cl)C
(2)InChI: InChI=1S/C6H7ClN2O/c1-4-3-5(6(7)10)9(2)8-4/h3H,1-2H3
(3)InChIKey: ZIAPGUFDEJWQHC-UHFFFAOYSA-N
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