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2-Ethylimidazole

CAT: 0286-E11480-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0286-E11480-01Size:100 g
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CAS Number
1072-62-4
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00005192
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P321 Specific treatment (see … on this label) ; P332+P313 IF SKIN irritation occurs: Get medical advice/attention; P405 Store locked up.

Chemical Information

2-Ethylimidazole

structure in first source

CAS Number1072-62-4
PubChem CID66130
IUPAC Name2-ethyl-1H-imidazole
Molecular FormulaC5H8N2
Molecular Weight96.13
XLogP0.9
Topological Polar Surface Area28.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count7
Formal Charge0
Complexity54
SMILES
CCC1=NC=CN1
InChI
InChI=1S/C5H8N2/c1-2-5-6-3-4-7-5/h3-4H,2H2,1H3,(H,6,7)
InChIKey
PQAMFDRRWURCFQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethylimidazole
CAS: 1072-62-4
CID: 66130
Formula: C5H8N2
MW: 96.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight96.13
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass96.068748264
Monoisotopic Mass96.068748264
Topological Polar Surface Area28.7 Ų
Heavy Atom Count7
Formal Charge0
Complexity54
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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