CAS 7098-07-9 1-Ethyl-1H-imidazole (HCID 81540)

Names & identifiers

Preferred name: 1-Ethyl-1H-imidazole
IUPAC: 1-ethylimidazole
English name: 1-Ethylimidazole
Molecular formula: C5H8N2
Molecular weight: 96.13

Names & synonyms

1-Ethylimidazole1-Ethyl-1H-imidazole7098-07-9N-Ethylimidazole1H-Imidazole, 1-ethyl-T49PA5I372DTXSID10221209EC 230-403-9EINECS 230-403-9RefChem:432328DTXCID60143700230-403-9

Show more names

EIMOxalethylin1-Ethylimidazole>Imidazole, 1-ethyl-Clotrimazole Impurity 13

Imidazole, 1-ethyl-MFCD000553891-Ethylimidazole, >98%1-Ethyl-1H-imidazole #PS-9345PD163435D708601-ethyl imidazole

Database identifiers

CAS: 7098-07-9
PubChem CID: 81540
DTXSID: DTXSID10221209
ChEMBL: CHEMBL13911
UNII: T49PA5I372
EC Number: 230-403-9
Nikkaji: J109.518H

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 17.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 7
Formal charge: 0
Complexity: 54

Physicochemical properties

Melting point: -27 ° · -27°
Boiling point: 106 °C · 106°C (12 torr)
Density: 0.997 · 0.997
vapor pressure: 40 Pa · 40Pa at 20℃
refractive index: 1.487 · 1.4870-1.4900
Flash point: 91.5 °C · 91.5 °C
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Water Solubility: Soluble in water
form: clear liquid
pka: 7.08 · 7.08±0.10(Predicted)
color: Colorless to Light yellow to Light orange
Viscosity: 2.18 mm2/s · 2.18mm2/s
InChI: InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3
InChIKey: IWDFHWZHHOSSGR-UHFFFAOYSA-N
SMILES: C1N(CC)C=CN=1
CAS DataBase Reference: 7098 · 7098-07-9(CAS DataBase Reference)
FDA UNII: 49 PA5I372 · T49PA5I372
NIST Chemistry Reference: 1 · 1-Ethylimidazole(7098-07-9)
UNSPSC Code: 12352005 · 12352005
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 227 · H227-H315-H319
Precautionary statements: 210 · P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501
Hazard Codes: C
Risk Statements: 36 · 36/37/38-52/53-34-22
Safety Statements: 26 · 26-36/37/39-61-45
RIDADR: 3267 · UN3267 8/PG 3
WGK Germany: 2 · WGK 2
HazardClass: 8 · 8
HS Code: 2933299090 · 2933299090
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 4 OralAquatic · Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Irrit. 2
REACH Registrations: Active
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 30-11-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/16442

Hazard Classes and CategoriesAcute Tox. 4 (95.7%)

Safety data

wgk: WGK 2
ridadr: UN3267 8/PG 3
hs_code: 2933299090
risk_code: 36/37/38-52/53-34-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: C
safety_code: 26-36/37/39-61-45
hazard_class: 8
Storage Class: 10 - Combustible liquids
Hazard statements: H227-H315-H319
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
REACH Registrations: Active
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Irrit. 2
Precautionary statements: P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501

Chemistry & industry

Applications · 1 item

Uses1-Ethylimidazole is an organic heterocyclic compound belonging to the imidazole family. It is widely used as a versatile building block in organic synthesis and serves as a precursor for the synthesis of many pharmaceuticals, agrochemicals, and specialty chemicals. Moreover, 1-Ethylimidazole has been investigated for its biological activities and potential medicinal applications. It exhibits antimicrobial properties, showing inhibitory effects against bacteria and fungi.