2-Imidazoline

HCID 68156

Notes Reactions

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Basic information

CAS: 28299-33-4
Standard SMILES: C1=NCCN1
InChIKey: MTNDZQHUAFNZQY-UHFFFAOYSA-N
Molecular formula: C3H6N2
Average molar mass: 70.09 g/mol
Monoisotopic mass: 70.0530982

Names & identifiers

Preferred name: 2-Imidazoline
IUPAC: 4,5-dihydro-1H-imidazole
English name: 4,5-dihydro-1H-imidazole
Molecular formula: C3H6N2
Molecular weight: 70.09

Names & synonyms

4,5-Dihydro-1H-imidazoleimidazoline2-Imidazoline504-75-61H-Imidazole, 4,5-dihydro-D36R5YLK6RCORBAN 210WSDTXSID2060127CHEBI:53094RefChem:473552DTXCID5040835DTXSID10894831

Show more names

207-999-428299-33-41H-Imidazole, dihydro-UNII-D36R5YLK6REINECS 207-999-44,5-dihydroimidazoleSCHEMBL2438SCHEMBL3144

Database identifiers

CAS: 28299-33-4、504-75-6
PubChem CID: 68156
DTXSID: DTXSID2060127
ChEBI: CHEBI:53094
UNII: D36R5YLK6R
EC Number: 207-999-4
Nikkaji: J182.256J

Properties

Computed structural properties

XLogP: -0.8
Topological polar surface area: 24.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 5
Formal charge: 0
Complexity: 48

Physicochemical properties

Melting point: 55 °C · 55°C
Boiling point: 111.55 °C · 111.55°C (rough estimate)
Density: 0.8304 · 0.8304 (rough estimate)
refractive index: 1.4796 · 1.4796 (estimate)
pka: 10.9 · 10.90±0.40(Predicted)
FDA UNII: 36 R5YLK6R · D36R5YLK6R
EPA Substance Registry System: 1 H-Imidazole, · 1H-Imidazole, 4,5-dihydro- (504-75-6)
Symbol(GHS): 8 · GHS08,GHS07,GHS05
Signal word: Danger
Hazard statements: 361 · H361-H314-H302
Precautionary statements: 201 · P201-P202-P281-P308+P313-P405-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P264-P270-P301+P312-P330-P501
TSCA: TSCA listed

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

P203, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Corr. 1B (100%)；Repr. 2 (100%)

Safety data

tsca: TSCA listed
Signal word: Danger
Symbol(GHS): GHS08,GHS07,GHS05
Hazard statements: H361-H314-H302
Precautionary statements: P201-P202-P281-P308+P313-P405-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P264-P270-P301+P312-P330-P501

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1H-Imidazole, 4,5-dihydro-: ACTIVE

Applications · 1 item

Uses4,5-Dihydro-1H-imidazole possesses inhibition effect on the crevice corrosion of N80 carbon steel; Also, it is derived from Formamide (F691480), which is a compound that is used in biochemistry to prevent RNA samples from degradation due to RNAses. Formamide is also used as a plasticizer to prepare thermoplastic starch (TPS), a special type of starch that can be mixed with other synthetic polymers because of its unique ability to “flow”.