Home > Compound List > Compound details
288-32-4 molecular structure
click picture or here to close

1H-imidazole

ChemBase ID: 89483
Molecular Formular: C3H4N2
Molecular Mass: 68.07726
Monoisotopic Mass: 68.03744814
SMILES and InChIs

SMILES:
n1c[nH]cc1
Canonical SMILES:
c1ncc[nH]1
InChI:
InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)
InChIKey:
RAXXELZNTBOGNW-UHFFFAOYSA-N

Cite this record

CBID:89483 http://www.chembase.cn/molecule-89483.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1H-imidazole
IUPAC Traditional name
Him
imidazole
Synonyms
Glyoxalin
1,3-Diazole
1,3-Diaza-2,4-Cyclopentadiene
Iminazole
Imutex
Miazole
IMIDAZOLE
Glyoxaline solution
Imidazole solution
Imidazole buffer Solution
Glyoxaline
3-Azapyrrole
1H-Imidazole
glyoxaline (archaic)
Imidazole
Ondansetron impurity E (Ph Eur)
1,3-Diazacyclopenta-2,4-diene
1H-Imidazole
甘恶啉 溶液
1,3-二氮杂-2,4-环戊二烯
甘恶啉
咪唑
CAS Number
288-32-4
1834623
EC Number
206-019-2
MDL Number
MFCD00005183
Beilstein Number
103853
Merck Index
144912
PubChem SID
24880368
24895975
24895898
24895896
162076363
24896072
24880370
24885729
24880372
PubChem CID
795
CHEBI ID
16069
CHEMBL
540
Chemspider ID
773
KEGG ID
C01589
Wikipedia Title
Imidazole

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.396939  H Acceptors
H Donor LogD (pH = 5.5) -0.69591075 
LogD (pH = 7.4) -0.24231982  Log P -0.14522421 
Molar Refractivity 19.0128 cm3 Polarizability 7.142212 Å3
Polar Surface Area 28.68 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
H2O: soluble0.1 M at 20 °C, clear, colorless expand Show data source
Methanol expand Show data source
Soluble in water expand Show data source
Apperance
white crystalline expand Show data source
white or pale yellow solid expand Show data source
White Solid expand Show data source
white to off-white crystalline expand Show data source
Melting Point
85-91°C expand Show data source
85-92 °C expand Show data source
88 - 90 °C expand Show data source
88°C expand Show data source
88-91 °C expand Show data source
88-91 °C(lit.) expand Show data source
88-91°C expand Show data source
88-92°C expand Show data source
89-91 °C (362-364 K) expand Show data source
Boiling Point
235°C expand Show data source
256 °C (529 K) expand Show data source
256 °C(lit.) expand Show data source
256°C expand Show data source
268 °C expand Show data source
268°C expand Show data source
Flash Point
145 °C (closed cup and DIN 51758) expand Show data source
145 °C expand Show data source
145°C expand Show data source
145°C(293°F) expand Show data source
146 °C expand Show data source
293 °F expand Show data source
Auto Ignition Point
480 °C expand Show data source
Density
1.01 g/mL at 20 °C expand Show data source
1.03 expand Show data source
1.23 g/cm3, solid expand Show data source
500 - 600 kg/m3 (bulk density) expand Show data source
Vapor Pressure
.003 hPa at 20 °C expand Show data source
<1 mmHg ( 20 °C) expand Show data source
Absorption Wavelength
λ: 260 nm Amax: 0.10 expand Show data source
λ: 280 nm Amax: 0.10 expand Show data source
pKa
14.5 (for imidazole) and 7.05 (for the conjugate acid) expand Show data source
6.95 expand Show data source
6.95 (25°C) expand Show data source
Fluorescence
λex 200-600 nm; λem 300-800 nm (corresponds) expand Show data source
pH
9.5±0.5 expand Show data source
9.5-11.0 (25 °C, 0.1 M in H2O) expand Show data source
9.5-11.0 (25 °C, 5% in H2O) expand Show data source
9.5-11.0 (25 °C, 50 mg/mL in H2O) expand Show data source
Storage Condition
Refrigerator expand Show data source
Room Temperature (15-30°C) expand Show data source
Storage Warning
Corrosive/Harmful/Teratogenic/Store under Argon expand Show data source
RTECS
NI3325000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Toxic Toxic (T) expand Show data source
X expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1759 expand Show data source
2923 expand Show data source
UN2923 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
3 expand Show data source
II expand Show data source
III expand Show data source
Australian Hazchem
2X expand Show data source
Risk Statements
22-34 expand Show data source
61-22-34 expand Show data source
61-36/38 expand Show data source
R:22-34 expand Show data source
R20 R22 R34 R41 expand Show data source
Safety Statements
26-36/37/39-45-60 expand Show data source
53-26-36/37/39-45 expand Show data source
53-26-45 expand Show data source
S:26-27/28-36/37/39-46-64 expand Show data source
S26 S36 S37 S39 S45 expand Show data source
EU Classification
C10 expand Show data source
EU Hazard Identification Number
8B expand Show data source
Emergency Response Guidebook(ERG) Number
154 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
Main Hazard
Corrosive expand Show data source
GHS Hazard statements
H301-H314-H318 expand Show data source
H302-H314-H360D expand Show data source
H314-H360D expand Show data source
GHS Precautionary statements
P201-P280-P305 + P351 + P338-P310 expand Show data source
P260-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
Personal Protective Equipment
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 expand Show data source
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2923 8/PG 3 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥99% expand Show data source
>99% expand Show data source
≥95.0% (HPLC) expand Show data source
≥98.5% (titration) expand Show data source
≥99% (titration) expand Show data source
≥99.0% expand Show data source
≥99.5% (GC) expand Show data source
98% expand Show data source
99% expand Show data source
Concentration
1 M in H2O expand Show data source
Grade
ACS reagent expand Show data source
for luminescence expand Show data source
for molecular biology expand Show data source
puriss. p.a. expand Show data source
reagent grade expand Show data source
ReagentPlus® expand Show data source
SAJ special grade expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Ignition Residue
≤0.1% expand Show data source
Impurities
~0.3% Fluorescence blank(β-NADH equivalence.) expand Show data source
≤0.005% Fluorescence blank(β-NADH equivalence.) expand Show data source
≤0.2% water expand Show data source
≤10.0% related substances expand Show data source
≤5.0% solvents expand Show data source
≤5.0% water expand Show data source
DNases, none detected expand Show data source
insoluble matter, passes filter test expand Show data source
phosphatases, none detected expand Show data source
proteases, none detected expand Show data source
RNases, none detected expand Show data source
Cation Traces
Al: ≤10 mg/kg expand Show data source
Al: ≤5 mg/kg expand Show data source
As: ≤0.1 mg/kg expand Show data source
Ba: ≤5 mg/kg expand Show data source
Bi: ≤5 mg/kg expand Show data source
Ca: ≤10 mg/kg expand Show data source
Ca: ≤50 mg/kg expand Show data source
Cd: ≤5 mg/kg expand Show data source
Co: ≤5 mg/kg expand Show data source
Cr: ≤5 mg/kg expand Show data source
Cu: ≤5 mg/kg expand Show data source
Fe: ≤0.001% expand Show data source
Fe: ≤5 mg/kg expand Show data source
K: ≤50 mg/kg expand Show data source
Li: ≤5 mg/kg expand Show data source
Mg: ≤5 mg/kg expand Show data source
Mn: ≤5 mg/kg expand Show data source
Mo: ≤5 mg/kg expand Show data source
Na: ≤50 mg/kg expand Show data source
Ni: ≤5 mg/kg expand Show data source
Pb: ≤5 mg/kg expand Show data source
Sr: ≤5 mg/kg expand Show data source
Zn: ≤5 mg/kg expand Show data source
Antion Traces
chloride (Cl-): ≤50 mg/kg expand Show data source
chloride (Cl-): ≤500 mg/kg expand Show data source
sulfate (SO42-): ≤50 mg/kg expand Show data source
Foreign Activity
DNase, RNase and protease, none detected expand Show data source
Shelf Life
(limited shelf life, expiry date on the label) expand Show data source
Quality Level
PREMIUM expand Show data source
λ
0.1 M in H2O expand Show data source
Product Line
BioUltra expand Show data source
Empirical Formula (Hill Notation)
C3H4N2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals - 02102033 external link
Slightly off-white, crystalline powder.
Purity: 99%
Excellent for buffer use in pH range 6.2-7.8. The m.p. of this product is 89-91°C. Please note many other "dealers" offer inferior imidazole with m.p. 87-91°C.
MP Biomedicals - 02102031 external link
Histamine Antagonist
Highly Purified: 99+%
MP Biomedicals - 02194829 external link
Molecular Biology Reagent
Purity: 99+%
Histamine Antagonist.
Useful pH range: 6.2-7.8
Sigma Aldrich - I202 external link
Application
Excellent for buffers in the range of pH 6.2-7.8
Used as an antimetabolite and as an inhibitor of histamine. Also has many synthetic uses.
Packaging
1, 5, 25 g in glass bottle
2 kg in poly bottle
100, 500 g in poly bottle
5 kg in poly drum
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC
Protocols & Applications
Metal Organic Framework Linkers Technology Spotlight
Sigma Aldrich - 56750 external link
Application
Excellent for buffers in the range of pH 6.2-7.8
Other Notes
For titration of aspartic acid and glutamic acid1
Sigma Aldrich - I0250 external link
Application
特别适用于 pH 6.2-7.8 范围内的缓冲液
Sigma Aldrich - 49128 external link
Application
Excellent for buffers in the range of pH 6.2-7.8
Sigma Aldrich - I2399 external link
Application
特别适用于 pH 6.2-7.8 范围内的缓冲液
包装
100, 500 g in glass bottle
Sigma Aldrich - 02739 external link
Application
Excellent for buffers in the range of pH 6.2-7.8
Sigma Aldrich - 56745 external link
Application
Excellent for buffers in the range of pH 6.2-7.8
Other Notes
Kinetic investigations with pig kidney Na+,K+-ATPase, by stopped-flow fluorimetry1,2
Sigma Aldrich - 56748 external link
Application
Excellent for buffers in the range of pH 6.2-7.8
Other Notes
Review: As RNase model1
Sigma Aldrich - I5513 external link
Application
特别适用于 pH 6.2-7.8 范围内的缓冲液
Sigma Aldrich - 15-0020 external link
Application
Excellent for buffers in the range of pH 6.2-7.8
Sigma Aldrich - 56749 external link
Application
Excellent for buffers in the range of pH 6.2-7.8
Other Notes
Buffer for assay of horseradish peroxidase1
Sigma Aldrich - I0125 external link
Application
特别适用于 pH 6.2-7.8 范围内的缓冲液
包装
10, 25, 100, 500 g in glass bottle
5 kg in poly drum
Toronto Research Chemicals - I350200 external link
Imidazole is a versatile heterocycle used in the preparation of various biologically active compounds such as the amino acid histidine and is present in many antifungal medication. It is also used extensively as a corrosion inhibitor on transition metals

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Arispe, N. et al.: Biophys. J., 95, 4879 (2008)
  • • Troesken, E.R. et al.: Endo. Res., 30, 387 (2008)
  • • Otmacic Curkovic, H. et al.: Corr. Sci., 51, 2342 (2008)
  • • With 2 moles of an aroyl halide gives, after hydrolysis, good yields of 2-aroylimidazoles: Synthesis, 675 (1978).
  • • Nucleophilic catalyst for many acylation and silylation reactions, compare 4-(Dimethylamino)pyridine, A13016.
  • • For use in: silylation of 1,3-diketones, see Hexamethyldisilazane, A15139; introduction of the TBDMS and TBDPS groups; see: tert-Butyldimethylchlorosilane, A13064, and tert-Butyldiphenylchlorosilane, A12721, respectively.
  • • In combination with triphenylphosphine and iodine, vic-diols are converted to alkenes: Synthesis, 469 (1979), and alcohols to alkyl iodides: Synth. Commun., 20, 1473 (1990).
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle