1H-Imidazolium, 1-dodecyl-2-methyl-3-(phenylmethyl)-, chloride (1:1)
Basic information
- CAS
21054-72-8- Standard SMILES
CCCCCCCCCCCCn1cc[n+](Cc2ccccc2)c1C.[Cl-]- InChIKey
PBODPHKDNYVCEJ-UHFFFAOYSA-M- Molecular formula
- C23H37ClN2
- Average molar mass
- 377 g/mol
- Monoisotopic mass
- 376.2645269
Names & identifiers
- Preferred name
- 1H-Imidazolium, 1-dodecyl-2-methyl-3-(phenylmethyl)-, chloride (1:1)
- IUPAC
- 1-benzyl-3-dodecyl-2-methylimidazol-1-ium chloride
- English name
- 1-Dodecyl-2-methyl-3-benzylimidazolium chloride
- Molecular formula
- C23H37ClN2
- Molecular weight
- 377.01
Names & synonyms
21054-72-81-Dodecyl-2-methyl-3-benzylimidazolium chloride1H-Imidazolium, 1-dodecyl-2-methyl-3-(phenylmethyl)-, chloride (1:1)EINECS 244-179-51H-Imidazolium, 1-dodecyl-2-methyl-3-(phenylmethyl)-, chlorideRefChem:798183-benzyl-1-dodecyl-2-methyl-1h-imidazol-3-ium chloride1-benzyl-3-dodecyl-2-methylimidazol-1-ium;chlorideMFCD225771561-DODECYL-2-METHYL-3-BENZYLIMIDAZOLIUMCHLORIDE[VMIm]TfSSCHEMBL232266
Show more names
L-08NCurezol SFZ[C12M(BzM)Im]Cl1-Benzyl-2-methyl-3-laurylimidazolium chloride3-Benzyl-1-dodecyl-2-methylimidazolium chloride3-benzyl-1-dodecyl-2-methyl-1H-imidazolium chloride3-Dodecyl-2-methyl-1-benzyl-1H-imidazole-3-ium·chloride1-dodecyl-2-methyl-3-(phenylmethyl)-1h-imidazoliuchloride
SCHEMBL232267SCHEMBL232268DTXSID80943360PBODPHKDNYVCEJ-UHFFFAOYSA-MAKOS024462592AKOS037643633AS-19039CS-0152235
Database identifiers
- CAS
21054-72-8- PubChem CID
- 88762
- DTXSID
DTXSID80943360- EC Number
- 244-179-5
Properties
Computed structural properties
- Topological polar surface area
- 8.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 13
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- storage temp.
- Inert atmosphere,Room Temperature
- EPA Substance Registry System
- 1 H-Imidazolium, · 1H-Imidazolium, 1-dodecyl-2-methyl-3-(phenylmethyl)-, chloride (21054-72-8)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 332 · H332-H301-H312
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P264-P270-P301+P310-P321-P330-P405-P501-P280-P302+P352-P312-P322-P363-P501
- TSCA
- TSCA listed
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
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Danger
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P317, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H332-H301-H312
- Precautionary statements
- P261-P271-P304+P340-P312-P264-P270-P301+P310-P321-P330-P405-P501-P280-P302+P352-P312-P322-P363-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Imidazolium, 1-dodecyl-2-methyl-3-(phenylmethyl)-, chloride (1:1): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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