1H-Imidazole, 5-chloro-1-methyl-

Name	5-Chloro-1-methylimidazole
Synonyms	TIMTEC-BB SBB004296 5-Chloro-1-methylimidazde 1-Methyl-5-chloroimidazole 5-CHLORO-1-METHYLIMIDAZOLE 1-METHYL-5-CHLOROIMIDAZOLE 5-Chloro-1-methylimidazole 5-Chloro-1-methyl imidazole 5-Chloro-1-methyl-1H-imidazole 5-CHLORO-1-METHYL-1H-IMIDAZOLE 1H-Imidazole, 5-chloro-1-methyl- 5-Chloro-1-MethylImidazole(ForAzathiopurine) 2-[(3-methylphenyl)thio]-1H-quinazolin-4-one
CAS	872-49-1
EINECS	212-827-6
InChI	InChI=1/C4H5ClN2/c1-7-3-6-2-4(7)5/h2-3H,1H3

Molecular Formula	C4H5ClN2
Molar Mass	116.55
Density	1.25 g/mL at 25 °C (lit.)
Melting Point	82-85°C(11 mmHg)
Boling Point	82-85 °C/11 mmHg (lit.)
Flash Point	205°F
Water Solubility	insoluble
Solubility	Soluble in chloroform and insoluble in water
Vapor Presure	0.33mmHg at 25°C
Appearance	Oil
Color	Colorless to yellow to brown liquid
BRN	110509
pKa	5.31±0.10(Predicted)
Storage Condition	Sealed in dry,Room Temperature
Refractive Index	n20/D 1.511(lit.)
MDL	MFCD00014505
Physical and Chemical Properties	The boiling point is 82-85 ℃(1.47kPa), the relative density is 1.250, and the refractive index is 1.5110.

Hazard Symbols	Xi - Irritant
Risk Codes	36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S37/39 - Wear suitable gloves and eye/face protection
WGK Germany	3
Hazard Class	IRRITANT

NIST chemical information	information provided by: webbook.nist.gov (external link)
Use	pharmaceutical intermediates.
production method	is obtained from the reaction of dimethylethylamine and phosphorus pentachloride. Put the excess of dimethylethylamine and phosphorus pentachloride into the reaction pot, keep it at 70-80 ℃ for 2H, place it overnight, distill the phosphorus oxychloride under reduced pressure, the temperature should not exceed 100 ℃, cool it, add ice water, after stirring, the pH was adjusted to 9-10 with 30-40% alkali solution and allowed to stand. The oily substance was separated, the mother liquor was cooled, inorganic salts were precipitated, filtered, washed with chloroform, and the mother liquor was extracted with chloroform. The oil layer and the chloroform layer were combined, chloroform was recovered, and distilled under reduced pressure to collect a boiling point fraction of 110-115 ° C. (4.0kPa) to obtain 1-methyl-5-chloroimidazole. The yield was 52%.

Last Update：2024-04-09 15:16:53

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1H-Imidazole, 5-chloro-1-methyl-

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