5-Chloro-1-ethyl-2-methyl-1H-imidazole
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Basic information
- CAS
4897-22-7- Standard SMILES
CCn1c(Cl)cnc1C- InChIKey
RHQYMLWGPGEEOU-UHFFFAOYSA-N- Molecular formula
- C6H9ClN2
- Average molar mass
- 144.6 g/mol
- Monoisotopic mass
- 144.045426
Names & identifiers
- Preferred name
- 5-Chloro-1-ethyl-2-methyl-1H-imidazole
- IUPAC
- 5-chloro-1-ethyl-2-methylimidazole
- English name
- 5-CHLORO-1-ETHYL-2-METHYLIMIDAZOLE
- Molecular formula
- C6H9ClN2
- Molecular weight
- 144.6
Names & synonyms
5-Chloro-1-ethyl-2-methyl-1H-imidazole4897-22-7EINECS 225-520-71H-Imidazole, 5-chloro-1-ethyl-2-methyl-DTXSID40197645RefChem:534272DTXCID00120136225-520-7InChI=1/C6H9ClN2/c1-3-9-5(2)8-4-6(9)7/h4H,3H2,1-2H5-Chloro-1-ethyl-2-methylimidazoleSCHEMBL1184137MFCD00074901
Show more names
AKOS026729838SY1803385-Chloro-1-ethyl-2-methylimidazole, 99%5-Chloro-1-ethyl-2-methyl-1H-imidazole #CS-0257218NS00045235EN300-66556I80829
Database identifiers
- CAS
4897-22-7- PubChem CID
- 78606
- DTXSID
DTXSID40197645- EC Number
- 225-520-7
- Nikkaji
- J262.520B
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 97.1
Physicochemical properties
- Boiling point
- 101 °C/12 · 101 °C/12 mmHg (lit.)
- Density
- 1.141 g/mL · 1.141 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.499(lit.)
- Flash point
- 205 °F · 205 °F
- pka
- 6.06 · 6.06±0.34(Predicted)
- form
- liquid
- InChI
- 1S/C6H9ClN2/c1-3-9-5(2)8-4-6(9)7/h4H,3H2,1-2H3
- InChIKey
- RHQYMLWGPGEEOU-UHFFFAOYSA-N
- SMILES
- CCn1c(Cl)cnc1C
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses5-Chloro-1-ethyl-2-methylimidazole was employed as additive to study the effect of additives on the performance of dye-sensitized TiO2 solar cells based on ionic liquid electrolyte.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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