5-chloro-1-methyl-1H-imidazole
Basic information
- CAS
872-49-1- Standard SMILES
Cn1cncc1Cl- InChIKey
NYDGOZPYEABERA-UHFFFAOYSA-N- Molecular formula
- C4H5ClN2
- Average molar mass
- 116.55 g/mol
- Monoisotopic mass
- 116.0141259
Names & identifiers
- Preferred name
- 5-chloro-1-methyl-1H-imidazole
- IUPAC
- 5-chloro-1-methylimidazole
- English name
- 5-Chloro-1-methylimidazole
- Molecular formula
- C4H5ClN2
- Molecular weight
- 116.55
Names & synonyms
872-49-15-Chloro-1-methyl-1H-imidazole1H-Imidazole, 5-chloro-1-methyl-EINECS 212-827-6DTXSID50236175RefChem:534283DTXCID50158666212-827-6InChI=1/C4H5ClN2/c1-7-3-6-2-4(7)5/h2-3H,1H5-Chloro-1-methylimidazole1-Methyl-5-chloroimidazoleMFCD00014505
Show more names
TIMTEC-BB SBB0042965-Chloro-1-methylimidazde5-Chloro-1-methylimidazole,98%5-Chloro-1-methylimidazole >5-Chloro-1-MethyliMidazole-13C4-13C4 1-Methyl-5-chloroiMidazole-13C4
5-chloro-1-methyl-imidazoleP3P78L5UT9SCHEMBL1132866SCHEMBL2041042SCHEMBL2041595SCHEMBL9903358imidazole, 5-chloro-1-methyl-5-Chloro-1-methylimidazole, 98%
Database identifiers
- CAS
872-49-1- PubChem CID
- 70105
- DTXSID
DTXSID50236175- UNII
- P3P78L5UT9
- EC Number
- 212-827-6
- Nikkaji
- J26.568C
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 66.7
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 82 · 82-85°C(11 mmHg)
- Boiling point
- 82 · 82-85 °C/11 mmHg (lit.)
- Density
- 1.25 g/mL · 1.25 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.511(lit.)
- Flash point
- 205 °F · 205 °F
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Soluble in chloroform and insoluble in water
- pka
- 5.31 · 5.31±0.10(Predicted)
- form
- Oil
- color
- Colorless to yellow to brown liquid
- Water Solubility
- insoluble
- BRN
- 110509 · 110509
- InChI
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 5-chloro-1-methyl-1H-imidazole (EC: 212-827-6)
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 2933299090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- REACH Registrations
Chemistry & industry
Applications
UsesA useful synthetic intermediate.
Uses5-Chloro-1-methylimidazole is a labelled useful synthetic intermediate.
General Description5-Chloro-1-methylimidazole is a 5-halo-1-methylimidazole. It participates in electron-rich iron(III) porphyrin complex catalyzed epoxidation of olefins.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
4 records
Compound notes
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