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Product No: CB0836

4-Fluoro-1H-imidazole, >97.0%

Name: 4-Fluoro-1H-imidazole
Brand: Chempure

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CAS Number

30086-17-0

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About this item

IUPAC name	5-fluoro-1H-imidazole
canonical smiles	C1=C(NC=N1)F
inchi	InChI=1S/C3H3FN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6)
inchi key	HWUPTWDARIVICI-UHFFFAOYSA-N
molecular formula	C3H3FN2
synonyms	4-Fluoro-1H-imidazole 5-fluoro-1H-imidazole 30086-17-0 4-Fluoroimidazole 5-Fluoroimidazole

Computed Properties

Molecular Weight:	86.07 g/mol
XLogP3:	0.5
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	0
Exact Mass:	86.02802627 g/mol
Monoisotopic Mass:	86.02802627 g/mol
Topological Polar Surface Area:	28.7 Å²
Heavy Atom Count:	6
Formal Charge:	0
Complexity:	48.1
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:	1
Compound Is Canonicalized:	Yes

Related Compounds

Histamine

Imidazole

Pyrrole

2-Pyrrolidinone

2-Methylpiperidine

4-Methylimidazole

2-Methylimidazole

Thiazolidine

4-Imidazolone

2-Ethyl-4-methylimidazole

2-Oxazolidinone

2,5-Dimethyl-1H-pyrrole

N-vinylimidazole

4-Bromo-1H-imidazole

3(2H)-Isothiazolone

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (66.67%) Skin Irrit. 2 (66.67%) Eye Irrit. 2A (66.67%) STOT SE 3 (33.33%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (66.67%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (66.67%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (66.67%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (66.67%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (33.33%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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About this item

Documentation

Certificate of Analysis

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CAS #

*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	5-fluoro-1H-imidazole
canonical smiles	C1=C(NC=N1)F
inchi	InChI=1S/C3H3FN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6)
inchi key	HWUPTWDARIVICI-UHFFFAOYSA-N
molecular formula	C3H3FN2
synonyms	4-Fluoro-1H-imidazole 5-fluoro-1H-imidazole 30086-17-0 4-Fluoroimidazole 5-Fluoroimidazole

Computed Properties

Molecular Weight:	86.07 g/mol
XLogP3:	0.5
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	0
Exact Mass:	86.02802627 g/mol
Monoisotopic Mass:	86.02802627 g/mol
Topological Polar Surface Area:	28.7 Å²
Heavy Atom Count:	6
Formal Charge:	0
Complexity:	48.1
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:	1
Compound Is Canonicalized:	Yes

Related Compounds

Histamine

Imidazole

Pyrrole

2-Pyrrolidinone

2-Methylpiperidine

4-Methylimidazole

2-Methylimidazole

Thiazolidine

4-Imidazolone

2-Ethyl-4-methylimidazole

2-Oxazolidinone

2,5-Dimethyl-1H-pyrrole

N-vinylimidazole

4-Bromo-1H-imidazole

3(2H)-Isothiazolone

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (66.67%) Skin Irrit. 2 (66.67%) Eye Irrit. 2A (66.67%) STOT SE 3 (33.33%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (66.67%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (66.67%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (66.67%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (66.67%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (33.33%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Product No: CB0836

4-Fluoro-1H-imidazole, >97.0%

Product No: CB0836

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: CB0836

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?