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Product No: AA6744

Imidazole hydrochloride, 97%

Name: Imidazole hydrochloride
Brand: Chempure

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CAS Number

1467-16-9

Molecular Weight

104.54

Formula

C3H5ClN2

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About this item

IUPAC name	1H-imidazole;hydrochloride
canonical smiles	C1=CN=CN1.Cl
inchi	InChI=1S/C3H4N2.ClH/c1-2-5-3-4-1;/h1-3H,(H,4,5);1H
inchi key	JDIIGWSSTNUWGK-UHFFFAOYSA-N
molecular formula	C3H5ClN2
synonyms	Imidazole hydrochloride 1H-imidazole Hydrochloride 1467-16-9 1H-Imidazole, monohydrochloride imidazole HCl

Computed Properties

Molecular Weight:	104.54 g/mol
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	0
Exact Mass:	104.0141259 g/mol
Monoisotopic Mass:	104.0141259 g/mol
Topological Polar Surface Area:	28.7 Å²
Heavy Atom Count:	6
Formal Charge:	0
Complexity:	28.1
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	2
Compound Is Canonicalized:	Yes

Related Compounds

Imidazole

2-Methylimidazole

1H-Imidazol-2-amine

Imidazole hydrochloride

2-Bromo-1H-imidazole

2-Chloro-1H-imidazole

1H-Imidazole-2-carbonitrile

4-Iodoimidazole

5-chloro-1H-imidazole

4-Aminoimidazole

2-Fluoro-1H-imidazole

4-Fluoro-1H-imidazole

Imidazole-d4

2-Iodoimidazole

Imidazolium

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (23.21%) Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (25%) Repr. 2 (23.21%)
precautionary statement codes	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
hazard statements	H302 (23.21%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H361d (23.21%): Suspected of damaging the unborn child [Warning Reproductive toxicity]
hazards summary	A skin and strong eye irritant. See Imidazole.

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About this item

Documentation

Certificate of Analysis

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	1H-imidazole;hydrochloride
canonical smiles	C1=CN=CN1.Cl
inchi	InChI=1S/C3H4N2.ClH/c1-2-5-3-4-1;/h1-3H,(H,4,5);1H
inchi key	JDIIGWSSTNUWGK-UHFFFAOYSA-N
molecular formula	C3H5ClN2
synonyms	Imidazole hydrochloride 1H-imidazole Hydrochloride 1467-16-9 1H-Imidazole, monohydrochloride imidazole HCl

Computed Properties

Molecular Weight:	104.54 g/mol
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	0
Exact Mass:	104.0141259 g/mol
Monoisotopic Mass:	104.0141259 g/mol
Topological Polar Surface Area:	28.7 Å²
Heavy Atom Count:	6
Formal Charge:	0
Complexity:	28.1
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	2
Compound Is Canonicalized:	Yes

Related Compounds

Imidazole

2-Methylimidazole

1H-Imidazol-2-amine

Imidazole hydrochloride

2-Bromo-1H-imidazole

2-Chloro-1H-imidazole

1H-Imidazole-2-carbonitrile

4-Iodoimidazole

5-chloro-1H-imidazole

4-Aminoimidazole

2-Fluoro-1H-imidazole

4-Fluoro-1H-imidazole

Imidazole-d4

2-Iodoimidazole

Imidazolium

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (23.21%) Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (25%) Repr. 2 (23.21%)
precautionary statement codes	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
hazard statements	H302 (23.21%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H361d (23.21%): Suspected of damaging the unborn child [Warning Reproductive toxicity]
hazards summary	A skin and strong eye irritant. See Imidazole.

Product No: AA6744

Imidazole hydrochloride, 97%

Product No: AA6744

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AA6744

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?