2-cyclopropyl-1H-imidazole

HCID 17942383CAS 89532-38-7

Substructure search Find similar structures

Basic information

Standard SMILES: c1c[nH]c(C2CC2)n1
InChIKey: MBQKTXUCJWIHQQ-UHFFFAOYSA-N
Molecular formula: C6H8N2
Average molar mass: 108.14 g/mol
Monoisotopic mass: 108.06874826

Names & identifiers

Preferred name: 2-cyclopropyl-1H-imidazole
IUPAC: 2-cyclopropyl-1H-imidazole
English name: 2-cyclopropyl-1H-imidazole
Molecular formula: C6H8N2
Molecular weight: 108.14

Names & synonyms

2-Cyclopropyl-1H-imidazole89532-38-7DTXSID60591681RefChem:260010DTXCID50542445827-541-22-CyclopropylimidazoleMFCD192172971H-Imidazole, 2-cyclopropyl-SCHEMBL196337AKOS006350120DS-8959

Show more names

2-Cyclopropyl-1H-iMidazol...

PB18274SY014881EN300-205135AM804514A843220SCHEMBL1205638SCHEMBL1825142SCHEMBL7780013

Database identifiers

CAS: 89532-38-7
PubChem CID: 17942383
DTXSID: DTXSID60591681
EC Number: 827-541-2

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 28.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 88.5

Physicochemical properties

Melting point: 138 · 138-139℃
Boiling point: 324.2 · 324.2±11.0 °C(Predicted)
Density: 1 · 1+-.0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 14.39 · 14.39±0.10(Predicted)
Appearance: White to light yellow Solid
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 335 · H335-H318-H302-H315
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, 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%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H335-H318-H302-H315
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310