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Home> Encyclopedia >Anesthetic Agents>Pharmaceutical Intermediates>Organic Intermediate
Vinylimidazole structure
Vinylimidazole structure


Iupac Name:1-ethenylimidazole
CAS No.: 1072-63-5
Molecular Weight:94.11454
Modify Date.: 2022-11-10 21:16
Introduction: Removal of the vinyl protecting group with an isoprene-catalyzed lithiation process.1 VinylimidazoleSupplier View more+
1. Names and Identifiers
1.1 Name
1.2 Synonyms

1-ethenyl-1h-imidazol 1-ethenyl-1H-Imidazole 1-Ethenylimidazole 1H-Imidazole, 1-ethenyl- 1-Vinyl-1H-imidazole 1-VINYLIMIDAZOLE 1-vinyl-imidazole EINECS 214-012-0 MFCD00005297 N-VINYL IMIDAZOLE N-vinylimidazole VINYL IMIDAZOLE VinyliMidazole SynonyMs 1-VinyliMidazole VINYLIMIDAZOLE,MONOMER vinylIMIDAZOLE:1-vinylIMIDAZOLE

1.3 CAS No.
1.4 CID
1.6 Molecular Formula
C5H6N2 (isomer)
1.7 Inchi
1.8 InChkey
1.9 Canonical Smiles
1.10 Isomers Smiles
2. Properties
2.1 Density
2.1 Melting point
2.1 Boiling point
191.8 °C at 760 mmHg
2.1 Refractive index
n20/D 1.533(lit.)
2.1 Flash Point
69.8 °C
2.1 Precise Quality
2.1 PSA
2.1 logP
2.1 Appearance
Colorless to faint yellow transparent liquid
2.2 Storage
Hygroscopic. Ambient temperatures.
2.3 Chemical Properties
Brown liquid
2.4 pKa
2.5 Water Solubility

2.6 Stability
Stable. Hygroscopic. Incompatible with strong oxidizing agents.
2.7 StorageTemp
Inert atmosphere,2-8°C
3. Use and Manufacturing
3.1 Usage
Removal of the vinyl protecting group with an isoprene-catalyzed lithiation process.1 VinylimidazoleSupplier
4. Safety and Handling
4.1 Symbol
GHS05, GHS07
4.1 Hazard Codes
C; F
4.1 Signal Word
4.1 Risk Statements
4.1 Safety Statements
4.1 Packing Group
4.1 Hazard Class
4.1 Hazard Declaration
UN 3267 8/PG 2
4.1 Caution Statement
P280-P305 + P351 + P338-P310
4.1 WGK Germany
4.1 Sensitive
Light Sensitive
4.2 Specification

The 1-Vinylimidazole, with the CAS registry number 1072-63-5, has the IUPAC name of 1-ethenylimidazole. For a kind of colorless to faint yellow transparent liquid, it is sensitive to light, and is stable while incompatible with strong oxidizing agents. And its product categories are including Imidazol&Benzimidazole; Heterocyclic Compounds; Building Blocks; Heterocyclic Building Blocks; Imidazoles.

The physical properties of this chemical are as follows: (1)ACD/LogP: 0.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.28; (4)ACD/LogD (pH 7.4): 0.37; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.11; (7)ACD/KOC (pH 5.5): 8.26; (8)ACD/KOC (pH 7.4): 37.07; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.82; (13)Index of Refraction: 1.517; (14)Molar Refractivity: 29.85 cm3; (15)Molar Volume: 98.6 cm3; (16)Polarizability: 11.83 ×10-24 cm3; (17)Surface Tension: 34.4 dyne/cm; (18)Density: 0.95 g/cm3; (19)Flash Point: 69.8 °C; (20)Enthalpy of Vaporization: 42.8 kJ/mol; (21)Boiling Point: 191.8 °C at 760 mmHg; (22)Vapour Pressure: 0.506 mmHg at 25°C; (23)Exact Mass: 94.053098; (24)MonoIsotopic Mass: 94.053098; (25)Topological Polar Surface Area: 17.8; (26)Heavy Atom Count: 7; (27)Complexity: 70.5.

When you are dealing with this chemical, you should be much more cautious. For one thing, it is corrosive which may destroy living tissue on contact. For another thing, it is highly flammable which may catch fire in contact with air, only needing brief contact with an ignition source, and it has a very low flash point or evolve highly flammable gases in contact with water. Therefore, you should Wear suitable protective clothing, gloves and eye/face protection. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice and if in case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C=CN1C=CN=C1
(2)InChI: InChI=1S/C5H6N2/c1-2-7-4-3-6-5-7/h2-5H,1H2


2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Serious eye damage, Category 1

Reproductive toxicity, Category 1B

2.2 GHS label elements, including precautionary statements

Signal word


Hazard statement(s)

H302 Harmful if swallowed

H318 Causes serious eye damage

H360 May damage fertility or the unborn child

Precautionary statement(s)

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.


P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P310 Immediately call a POISON CENTER/doctor/\u2026

P308+P313 IF exposed or concerned: Get medical advice/ attention.


P405 Store locked up.


P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification


9. Other Information
9.0 Usage
1-Vinylimidazole is used as a monomer in the synthesis of molecularly imprinted polymers. It is involved in the removal of vinyl protecting groups with an isoprene-catalyzed lithiation process. Also, it is involved in the preparation of magnetic-poly(divinylbenzene-1-vinylimidazole) microbeads. Further, it is used to prepare ion imprinted polyvinylimidazole-silica hybrid copolymer.
9.1 BRN
9.2 Chemical Properties
Brown liquid
9.3 Uses
Removal of the vinyl protecting group with an isoprene-catalyzed lithiation process.1
9.4 Uses
1-Vinylimidazole has been employed:
  • as functional monomer in the synthesis of molecularly imprinted polymers
  • as monomer in the preparation of magnetic-poly(divinylbenzene-1-vinylimidazole) [m-poly(DVB-VIM)] microbeads
  • in the synthesis of novel ion imprinted polyvinylimidazole-silica hybrid copolymer (IIHC)
  • in removal of the vinyl protecting group via isoprene-catalyzed lithiation process
10. Computational chemical data
  • Molecular Weight: 94.11454g/mol
  • Molecular Formula: C5H6N2
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 94.053098200
  • Monoisotopic Mass: 94.053098200
  • Complexity: 70.5
  • Rotatable Bond Count: 1
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Topological Polar Surface Area: 17.8
  • Heavy Atom Count: 7
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
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12. Realated Product Infomation