Basic information
- CAS
37091-73-9- Standard SMILES
CN1CC[N+](C)=C1Cl.[Cl-]- InChIKey
AEBBXVHGVADBHA-UHFFFAOYSA-M- Molecular formula
- C5H10Cl2N2
- Average molar mass
- 169.05 g/mol
- Monoisotopic mass
- 168.02210368
Names & identifiers
- Preferred name
- 2-Chloro-1,3-dimethylimidazolinium chloride
- IUPAC
- 2-chloro-1,3-dimethyl-4,5-dihydroimidazol-1-ium chloride
- English name
- 2-Chloro-1,3-dimethylimidazolidinium chloride
- Molecular formula
- C5H10Cl2N2
- Molecular weight
- 169.05
Names & synonyms
2-Chloro-1,3-dimethylimidazolinium chloride37091-73-9UNII-56KA2A1U1D56KA2A1U1D1H-Imidazolium, 2-chloro-4,5-dihydro-1,3-dimethyl-, chloride (1:1)RefChem:86109MFCD09039290Dmc [MI]2-Chloro-1,3-dimethyl-4,5-dihydro-1H-imidazol-3-ium chlorideSCHEMBL2653392-Chloro-1,3-dimethylimidazolinium Chloride (90%)AKOS015898276
Show more names
2-CHLORO-1,3-DIMETHYLIMIDAZOLIUM CHLORIDE2-chloro-1,3-dimethyl-4,5-dihydroimidazol-1-ium chloride2-Chloro-1,3-dimethylimidazoline chloride2-chloro-1,3-diMethyl-1H-iMidazol-3-iuM chloride[M2ClIm]Cloro-1,3-dimethyLDMC (ca. 25% in Dichloromethane)Chlorodimethyllimidazoliniumchloride
2-Chloro-1,3-dimethyl-4,5-dihydroimidazolium Chloride2-chloro-1,3-dimethyl-4,5-dihydroimidazol-1-ium;chloride2-Chloro-4,5-dihydro-1,3-dimethyl-1H-imidazolium chlorideSY017259C1639EN300-310979Q272614142-Chloro-1,3-dimethylimidazolinium Chloride (90per cent)
Database identifiers
Properties
Computed structural properties
- Topological polar surface area
- 6.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 115
Physicochemical properties
- Melting point
- 133 · 133-140 °C (lit.)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- solubility
- Chloroform, Methanol, Water
- form
- Powder or Crystalline Powder
- color
- White to off-white
- Merck
- 13 · 13,3424
- Stability
- Hygroscopic
- Major Application
- peptide synthesis
- InChI
- InChI=1S/C5H10ClN2.ClH/c1-7-3-4-8(2)5(7)6;/h3-4H2,1-2H3;1H/q+1;/p-1
- InChIKey
- AEBBXVHGVADBHA-UHFFFAOYSA-M
- SMILES
- ClC1=[N+](CCN1C)C.[Cl-]
- CAS DataBase Reference
- 37091 · 37091-73-9(CAS DataBase Reference)
- FDA UNII
- 56 KA2A1U1D · 56KA2A1U1D
- UNSPSC Code
- 12352005 · 12352005
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
Safety & regulation
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 42 reports by companies from 4 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
- F
- 3-10-21
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- ridadr
- 1593
- hs_code
- 29332900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- 6.1
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- 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
Description2-Chloro-1,3-dimethylimidazolidinium chloride has various applications including being used as activating agent in total synthesis of macroviracin A, cycloviracin B1 and cyclic silanes; used as reagent for synthesis of tagged glucose as an intermediate in the synthesis of branched oligosaccharides; used as fluorescent chemosensors; 1,2-Diamines as inhibitors of co-activator associated arginine methyltransferase 1; used as allosteric glucokinase activators; as reactant for synthesis of organic azides from primary amines and for aza-Henry reactions1. It can act as a powerful dehydrating agent, replacing DCC under nearly neutral conditions, and has application for the construction of heterocycles2. Moreover, it can be used for one-pot synthesis of 2-aminobenzimidazoles3. It is also applicable to chlorination, oxidation, reduction, and rearrangement under nearly neutral conditions4.
UsesReagent for synthesis of: Tagged glucose as an intermediate in the synthesis of branched oligosaccharides Fluorescent chemosensors 1,2-Diamines as inhibitors of co-activator associated arginine methyltransferase 1 Allosteric glucokinase activatorsReactant for synthesis of: Organic azides from primary aminesReagent for aza-Henry reactions
UsesUsed in the one-pot synthesis of 2-aminobenzimidazoles.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司
Related reactions
10 records
Compound notes
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