CAS 1467-16-9 Imidazolium chloride (HCID 10197644)

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Basic information

CAS: 1467-16-9
Standard SMILES: Cl.c1c[nH]cn1
InChIKey: JDIIGWSSTNUWGK-UHFFFAOYSA-N
Molecular formula: C3.H4.N2.H.Cl
Average molar mass: 104.54 g/mol
Monoisotopic mass: 104.01412584

Names & identifiers

Preferred name: Imidazolium chloride
IUPAC: 1H-imidazole;hydrochloride
English name: Imidazole hydrochloride
Molecular formula: C3H5ClN2
Molecular weight: 104.54

Names & synonyms

Imidazole hydrochloride1467-16-91H-Imidazole, monohydrochlorideimidazolium chloride52C2DIA291RefChem:147977604-535-61H-imidazole Hydrochloride1H-Imidazole, hydrochloride (1:1)1H-imidazole;hydrochlorideImidazole, monohydrochlorideMFCD00012695

Show more names

AMerican CustoM CheMicals Corporation1h-imidazole,monohydrochlorideImidazoleHClImidazole saltImidazole-HCl 98%midazole hydrochlorideGLYOXALINE, HYDROCHLORIDE

1H-imidazol-1-ium;chlorideimidazole HClC3H5ClN21H-Imidazole HClimidazolium chloride saltSCHEMBL156533HY-ER010SCHEMBL6391418

Database identifiers

CAS: 1467-16-9
PubChem CID: 10197644
DTXSID: DTXSID80932890
UNII: 52C2DIA291
EC Number: 604-535-6

Properties

Computed structural properties

Topological polar surface area: 28.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 6
Formal charge: 0
Complexity: 28.1

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Imidazoles

Physical DescriptionWhite hygroscopic powder; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point: 158 · 158-161 °C(lit.)
storage temp.: Inert atmosphere,Room Temperature
solubility: 2 O: · H2O: 50 mg/mL, clear, colorless
form: solid
color: Pale yellow
PH: 9 · 9.0-10.0
BRN: 3678283 · 3678283
Stability: Stable. Hygroscopic. Incompatible with strong oxidizing agents.
Major Application: diagnostic assay manufacturing
InChI: InChI=1S/C3H4N2.ClH/c1-2-5-3-4-1;/h1-3H,(H,4,5);1H
InChIKey: JDIIGWSSTNUWGK-UHFFFAOYSA-N
SMILES: C1NC=NC=1.Cl

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 1.7% (1 of 58) of reports.

Warning

H302 (22.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 58 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See Imidazole.

Hazard Classes and CategoriesAcute Tox. 4 (22.4%)

Safety & protection

Protective Action Criteria (PAC) · 3 items

12 [mg/m3]

130 [mg/m3]

790 [mg/m3]

Safety data

F: 3-10
PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 2933299090
risk_code: 36/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 11 - Combustible Solids

Chemistry & industry

Pharmacology

MeSH Pharmacological ClassificationCompounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.

Applications · 2 items

UsesImidazole hydrochloride is a useful research chemical.

UsesImidazole hydrochloride has been used:in double immunohistochemistryto determine the activity of octopine dehydrogenase (ODH) in Mytilus galloprovincialisto study the cytoskeletal features during in vitro fertilization after intracytoplasmic sperm injection (ICSI) among humansas a reagent in the synthesis of a probe for monitoring herpes simplex virus type 1 thymidine kinase (HSV1-tk) reporter gene expression in rodents