Name: 1-Methyl-1H-imidazole-5-carbonyl chloride hydrochloride
SKU: 343569-06-2

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Basic Information

Molecular Structure:
CAS No.:	343569-06-2
Name:	1-Methyl-1H-imidazole-5-carbonyl chloride hydrochloride

Formula:	C₅H₅ClN₂O^.HCl
Molecular Weight:	181.021
Synonyms:	1H-Imidazole-5-carbonylchloride, 1-methyl-, monohydrochloride (9CI);3-Methyl-3H-imidazole-4-carbonylchloride hydrochloride;
Density:	1.37g/cm³
Melting Point:	214 °C
Boiling Point:	296.7 °C at 760 mmHg
Flash Point:	133.2 °C
Hazard Symbols:	C
Risk Codes:	34
Safety:	26-36/37/39-45
PSA:	34.89000
LogP:	1.60110

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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