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1-Methyl-1H-imidazole-5-carbonyl chloride hydrochloride

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Name

1-Methyl-1H-imidazole-5-carbonyl chloride hydrochloride

EINECS N/A
CAS No. 343569-06-2 Density 1.37g/cm3
PSA 34.89000 LogP 1.60110
Solubility N/A Melting Point 214 °C
Formula C5H5ClN2O.HCl Boiling Point 296.7 °C at 760 mmHg
Molecular Weight 181.021 Flash Point 133.2 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 343569-06-2 (1-Methyl-1H-imidazole-5-carbonyl chloride hydrochloride) Hazard Symbols CorrosiveC
Synonyms

1H-Imidazole-5-carbonylchloride, 1-methyl-, monohydrochloride (9CI);3-Methyl-3H-imidazole-4-carbonylchloride hydrochloride;

 

1-Methyl-1H-imidazole-5-carbonyl chloride hydrochloride Specification

The 1-Methyl-1H-imidazole-5-carbonyl chloride hydrochloride with the CAS number 343569-06-2 is also called 3-Methyl-3H-imidazole-4-carbonylchloride hydrochloride. Its molecular formula is C5H5ClN2O.HCl. This chemical should be stored under an inert atmosphere.

The properties of the 1-Methyl-1H-imidazole-5-carbonyl chloride hydrochloride are: (1)ACD/LogP: -0.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.22; (4)ACD/LogD (pH 7.4): -0.22; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 18.07; (8)ACD/KOC (pH 7.4): 18.13; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 34.89 Å2; (13)Enthalpy of Vaporization: 53.65 kJ/mol; (14)Vapour Pressure: 0.00142 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical can cause burns. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Finally in case of accident or if you feel unwell, you should seek medical advice immediately (show the label whenever possible).

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)c1cncn1C.Cl
(2)InChI: InChI=1/C5H5ClN2O.ClH/c1-8-3-7-2-4(8)5(6)9;/h2-3H,1H3;1H
(3)InChIKey: IRADJQMSOFSMNS-UHFFFAOYAO

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