Introduction:Basic information about CAS 288-32-4|Imidazole, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Imidazole is a planar 5-membered ring. Imidazole is a highly polar compound. Imidazole has been used extensively as a corrosion inhibitor.Imidazole is incorporated into many important biological molecules. The most pervasive is the amino acid histidine, which has an imidazole side-chain. Imidazole is useful as a buffer in the pH range of 6.2-7.8 One of the applications of imidazole is in the purification of His-tagged proteins in immobilised metal affinity chromatography(IMAC). Imidazole is used to elute tagged proteins bound to Ni ions attached to the surface of beads in the chromatography column. An excess of imidazole is passed through the column, which displaces the His-tag from nickel co-ordination, freeing the His-tagged proteins. Imidazole has become an important part of many pharmaceuticals. Synthetic imidazoles are present in many fungicides and antifungal, antiprotozoal, and antihypertensive medications. Imidazole is part of the theophylline molecule, found in tea leaves and coffee beans, which stimulates the central nervous system. It is present in the anticancer medication mercaptopurine, which combats leukemia by interfering with DNA activities.
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Chemical & Physical Properties
Density
1.1±0.1 g/cm3
Boiling Point
257.0±9.0 °C at 760 mmHg
Melting Point
88-91 °C(lit.)
Molecular Formula
C3H4N2
Molecular Weight
68.077
Flash Point
145.0±0.0 °C
Exact Mass
68.037445
PSA
28.68000
LogP
-0.16
Vapour Pressure
0.0±0.5 mmHg at 25°C
Index of Refraction
1.528
InChIKey
RAXXELZNTBOGNW-UHFFFAOYSA-N
SMILES
c1c[nH]cn1
Storage condition
2-8°C
Stability
Stable. Incompatible with acids, strong oxidizing agents. Protect from moisture.
Water Solubility
633 g/L (20 ºC)
Toxicological Information
CHEMICAL IDENTIFICATION
RTECS NUMBER :
NI3325000
CHEMICAL NAME :
Imidazole
CAS REGISTRY NUMBER :
288-32-4
BEILSTEIN REFERENCE NO. :
0103853
LAST UPDATED :
199710
DATA ITEMS CITED :
17
MOLECULAR FORMULA :
C3-H4-N2
MOLECULAR WEIGHT :
68.09
WISWESSER LINE NOTATION :
T5M CNJ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
220 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
626 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
880 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
300 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
817 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
475 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
28 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
125 mg/kg
TOXIC EFFECTS :
Behavioral - food intake (animal) Behavioral - rigidity (including catalepsy) Nutritional and Gross Metabolic - body temperature decrease
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
760 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
150 mg/kg
SEX/DURATION :
male 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - impotence
MUTATION DATA
TYPE OF TEST :
DNA inhibition
TEST SYSTEM :
Human Cells - not otherwise specified
DOSE/DURATION :
1 mmol/L
REFERENCE :
JIDEAE Journal of Investigative Dermatology. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1938- Volume(issue)/page/year: 65,400,1975 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M1601 No. of Facilities: 158 (estimated) No. of Industries: 3 No. of Occupations: 5 No. of Employees: 1401 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M1601 No. of Facilities: 313 (estimated) No. of Industries: 3 No. of Occupations: 4 No. of Employees: 3009 (estimated) No. of Female Employees: 2411 (estimated)
Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges
Hazard Codes
C:Corrosive
Risk Phrases
R22;R34;R63
Safety Phrases
S26-S36/37/39-S45-S22-S36
RIDADR
UN 2923 8/PG 3
WGK Germany
1
RTECS
NI3325000
Packaging Group
III
Hazard Class
8
HS Code
2933990090
Customs
HS Code
2933290090
Summary
2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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