4-(Trifluoromethyl)-1H-pyrazole, >95%

Name: 4-(Trifluoromethyl)-1H-pyrazole
Brand: Chempure

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CAS Number

52222-73-8

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About this item

IUPAC name	4-(trifluoromethyl)-1H-pyrazole
canonical smiles	C1=C(C=NN1)C(F)(F)F
inchi	InChI=1S/C4H3F3N2/c5-4(6,7)3-1-8-9-2-3/h1-2H,(H,8,9)
inchi key	KDEJQUNODYXYBJ-UHFFFAOYSA-N
molecular formula	C4H3F3N2
synonyms	4-(trifluoromethyl)-1H-pyrazole 52222-73-8 4-Trifluoromethyl-1H-pyrazole 4-(Trifluoromethyl)pyrazole 4-TRIFLUOROMETHYLPYRAZOLE

Computed Properties

Molecular Weight:	136.08 g/mol
XLogP3:	1.9
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	0
Exact Mass:	136.02483259 g/mol
Monoisotopic Mass:	136.02483259 g/mol
Topological Polar Surface Area:	28.7 Å²
Heavy Atom Count:	9
Formal Charge:	0
Complexity:	101
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

hazard signal	Danger
hazard classes and categories	Acute Tox. 3 (90.48%) Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H301 (90.48%): Toxic if swallowed [Danger 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 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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Product No: CH2276

4-(Trifluoromethyl)-1H-pyrazole, >95%

Product No: CH2276

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Product No: CH2276

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?