Basic information
- CAS
534-26-9- Standard SMILES
CC1=NCCN1- InChIKey
VWSLLSXLURJCDF-UHFFFAOYSA-N- Molecular formula
- C4H8N2
- Average molar mass
- 84.12 g/mol
- Monoisotopic mass
- 84.06874826
Overview
structure in first source; do not confuse with the imidazole-derivative known as lysidine
Names & identifiers
- Preferred name
- 2-Methylimidazoline
- IUPAC
- 2-methyl-4,5-dihydro-1H-imidazole
- English name
- 2-METHYL-2-IMIDAZOLINE
- Molecular formula
- C4H8N2
- Molecular weight
- 84.12
Names & synonyms
Show more names
Database identifiers
- CAS
534-26-9- PubChem CID
- 10798
- DTXSID
DTXSID2060204- ChEMBL
CHEMBL3935635- UNII
- 987F50E3PE
- EC Number
- 208-596-6
- Nikkaji
- J2.631J
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 24.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 75.6
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 87 °C · 87 °C (dec.)(lit.)
- Boiling point
- 144 °C · 144°C 140mm
- Density
- 0.8938 · 0.8938 (rough estimate)
- refractive index
- 1.5037 · 1.5037 (estimate)
- Flash point
- 197 °C · 197°C
- form
- Powder or Crystals or Needles
- pka
- 10.98 · 10.98±0.40(Predicted)
- color
- White to yellow or colorless to yellow
- Water Solubility
- Soluble in water, alcohol, chloroform.
- Merck
- 14 · 14,5635
- BRN
- 104225 · 104225
- InChI
- 1S/C4H8N2/c1-4-5-2-3-6-4/h2-3H2,1H3,(H,5,6)
- InChIKey
- VWSLLSXLURJCDF-UHFFFAOYSA-N
- SMILES
- [H]N1CCN=C1C
- CAS DataBase Reference
- 534 · 534-26-9(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 987 F50E3PE · 987F50E3PE
- EPA Substance Registry System
- 1 H-Imidazole, · 1H-Imidazole, 4,5-dihydro-2-methyl- (534-26-9)
- 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
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- RIDADR
- 1759 · 1759
- WGK Germany
- 3 · 3
- RTECS
- 4804995 · NI4804995
- TSCA
- TSCA listed
- HS Code
- 2933.29 · 2933.29.9000
- PackingGroup
- III
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- NI4804995
- ridadr
- 1759
- hs_code
- 2933.29.9000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- 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
Uses & manufacturing
Applications
Uses2-Methyl-2-imidazoline can be used as corrosion inhibitor.
Uses2-Methyl-2-imidazoline can be used as corrosion inhibitor.
General DescriptionKinetics of the reaction of 2-methyl-2-imidazoline with sulfate and hydrogen phosphate radicals has been investigated by flash-photolysis. Rate constant for the reaction was reported to be 108-109M-1s-1.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers81 total
Related reactions
Compound notes
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