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Product No: BN4381

3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate, 98%

Name: 3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

174501-65-6

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About this item

IUPAC name	1-butyl-3-methylimidazol-3-ium;tetrafluoroborate
canonical smiles	[B-](F)(F)(F)F.CCCCN1C=C[N+](=C1)C
inchi	InChI=1S/C8H15N2.BF4/c1-3-4-5-10-7-6-9(2)8-10;2-1(3,4)5/h6-8H,3-5H2,1-2H3;/q+1;-1
inchi key	LSBXQLQATZTAPE-UHFFFAOYSA-N
molecular formula	C8H15BF4N2
synonyms	174501-65-6 1-Butyl-3-methylimidazolium tetrafluoroborate 3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate BMIMBF4 1-n-Butyl-3-Methylimidazolium Tetrafluoroborate

Computed Properties

Molecular Weight:	226.03 g/mol
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	5
Rotatable Bond Count:	3
Exact Mass:	226.1264413 g/mol
Monoisotopic Mass:	226.1264413 g/mol
Topological Polar Surface Area:	8.8 Å²
Heavy Atom Count:	15
Formal Charge:	0
Complexity:	112
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

1-Butylimidazole

1-Pentyl-1H-imidazole

1-Propyl-1H-imidazole

1-Butyl-3-methylimidazolium chloride

1-Methyl-3-propylimidazolium hexafluorophosphate

1-butyl-3-methyl-1H-imidazol-3-ium

1-Butyl-2-methylimidazole

1-Dodecyl-3-methylimidazolium tetrafluoroborate

1-Butyl-3-methylimidazolium hexafluorophosphate

1-Ethyl-3-methylimidazolium hexafluorophosphate

1-Ethyl-3-methylimidazolium tetrafluoroborate

1-Butyl-3-methylimidazolium tetrafluoroborate

1-Butyl-2,3-dimethylimidazolium hexafluorophosphate

1-Methyl-3-octylimidazolium tetrafluoroborate

1-Methyl-3-propylimidazolium iodide

hazard signal	Danger
hazard classes and categories	Acute Tox. 3 (73.55%) Skin Irrit. 2 (97.52%) Eye Irrit. 2 (97.52%) STOT SE 3 (42.15%) Aquatic Chronic 2 (74.38%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501
hazard statements	H301 (73.55%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (97.52%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (97.52%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (42.15%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H411 (74.38%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

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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	1-butyl-3-methylimidazol-3-ium;tetrafluoroborate
canonical smiles	[B-](F)(F)(F)F.CCCCN1C=C[N+](=C1)C
inchi	InChI=1S/C8H15N2.BF4/c1-3-4-5-10-7-6-9(2)8-10;2-1(3,4)5/h6-8H,3-5H2,1-2H3;/q+1;-1
inchi key	LSBXQLQATZTAPE-UHFFFAOYSA-N
molecular formula	C8H15BF4N2
synonyms	174501-65-6 1-Butyl-3-methylimidazolium tetrafluoroborate 3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate BMIMBF4 1-n-Butyl-3-Methylimidazolium Tetrafluoroborate

Computed Properties

Molecular Weight:	226.03 g/mol
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	5
Rotatable Bond Count:	3
Exact Mass:	226.1264413 g/mol
Monoisotopic Mass:	226.1264413 g/mol
Topological Polar Surface Area:	8.8 Å²
Heavy Atom Count:	15
Formal Charge:	0
Complexity:	112
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

1-Butylimidazole

1-Pentyl-1H-imidazole

1-Propyl-1H-imidazole

1-Butyl-3-methylimidazolium chloride

1-Methyl-3-propylimidazolium hexafluorophosphate

1-butyl-3-methyl-1H-imidazol-3-ium

1-Butyl-2-methylimidazole

1-Dodecyl-3-methylimidazolium tetrafluoroborate

1-Butyl-3-methylimidazolium hexafluorophosphate

1-Ethyl-3-methylimidazolium hexafluorophosphate

1-Ethyl-3-methylimidazolium tetrafluoroborate

1-Butyl-3-methylimidazolium tetrafluoroborate

1-Butyl-2,3-dimethylimidazolium hexafluorophosphate

1-Methyl-3-octylimidazolium tetrafluoroborate

1-Methyl-3-propylimidazolium iodide

hazard signal	Danger
hazard classes and categories	Acute Tox. 3 (73.55%) Skin Irrit. 2 (97.52%) Eye Irrit. 2 (97.52%) STOT SE 3 (42.15%) Aquatic Chronic 2 (74.38%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501
hazard statements	H301 (73.55%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (97.52%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (97.52%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (42.15%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H411 (74.38%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Product No: BN4381

3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate, 98%

Product No: BN4381

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: BN4381

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?