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Product No: AX0391

3-Methyl-5-(trifluoromethyl)pyrazole, >98.0%

Name: 3-Methyl-5-(trifluoromethyl)pyrazole
Brand: Chempure

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CAS Number

10010-93-2

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IUPAC name	5-methyl-3-(trifluoromethyl)-1H-pyrazole
canonical smiles	CC1=CC(=NN1)C(F)(F)F
inchi	InChI=1S/C5H5F3N2/c1-3-2-4(10-9-3)5(6,7)8/h2H,1H3,(H,9,10)
inchi key	DLCHCAYDSKIFIN-UHFFFAOYSA-N
molecular formula	C5H5F3N2
synonyms	10010-93-2 5-methyl-3-(trifluoromethyl)-1H-pyrazole 3-Methyl-5-(trifluoromethyl)-1H-pyrazole 3-Methyl-5-(trifluoromethyl)pyrazole 942060-04-0
Compound Description	3-Methyl-5--1H-pyrazole is a member of pyrazoles.

Computed Properties

Molecular Weight:	150.10 g/mol
XLogP3:	1.5
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	0
Exact Mass:	150.04048265 g/mol
Monoisotopic Mass:	150.04048265 g/mol
Topological Polar Surface Area:	28.7 Å²
Heavy Atom Count:	10
Formal Charge:	0
Complexity:	123
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

2-Methylfuran

Nitrapyrin

Furfuryl mercaptan

5-Methyl-1H-pyrazole-3-carboxylic acid

2-Pyridinemethanethiol

2,3-Dimethylpyridine

2,6-Dichloropyridine

5-Methyl-2-furanmethanethiol

2-Ethylthio-1,3,4-thiadiazole-5-thiol

Tetrahydrofurfuryl chloride

3,5-Dimethylpyrazole

4-Bromo-3,5-dimethyl-1H-pyrazole

2,5-Dimethyl-1,3,4-thiadiazole

6-Chloro-3-hydroxypyridazine

2-Hydroxy-3-Trifluoromethylpyridine

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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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	5-methyl-3-(trifluoromethyl)-1H-pyrazole
canonical smiles	CC1=CC(=NN1)C(F)(F)F
inchi	InChI=1S/C5H5F3N2/c1-3-2-4(10-9-3)5(6,7)8/h2H,1H3,(H,9,10)
inchi key	DLCHCAYDSKIFIN-UHFFFAOYSA-N
molecular formula	C5H5F3N2
synonyms	10010-93-2 5-methyl-3-(trifluoromethyl)-1H-pyrazole 3-Methyl-5-(trifluoromethyl)-1H-pyrazole 3-Methyl-5-(trifluoromethyl)pyrazole 942060-04-0
Compound Description	3-Methyl-5--1H-pyrazole is a member of pyrazoles.

Computed Properties

Molecular Weight:	150.10 g/mol
XLogP3:	1.5
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	0
Exact Mass:	150.04048265 g/mol
Monoisotopic Mass:	150.04048265 g/mol
Topological Polar Surface Area:	28.7 Å²
Heavy Atom Count:	10
Formal Charge:	0
Complexity:	123
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

2-Methylfuran

Nitrapyrin

Furfuryl mercaptan

5-Methyl-1H-pyrazole-3-carboxylic acid

2-Pyridinemethanethiol

2,3-Dimethylpyridine

2,6-Dichloropyridine

5-Methyl-2-furanmethanethiol

2-Ethylthio-1,3,4-thiadiazole-5-thiol

Tetrahydrofurfuryl chloride

3,5-Dimethylpyrazole

4-Bromo-3,5-dimethyl-1H-pyrazole

2,5-Dimethyl-1,3,4-thiadiazole

6-Chloro-3-hydroxypyridazine

2-Hydroxy-3-Trifluoromethylpyridine

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Product No: AX0391

3-Methyl-5-(trifluoromethyl)pyrazole, >98.0%

Product No: AX0391

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: AX0391

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?