AG002DHG

20154-03-4 | 3-Trifluoromethyl-1H-pyrazole

AG002DHG

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CAS Number	20154-03-4
Catalog Number	AG002DHG(AGN-PC-0O749N)
Chemical Name	3-Trifluoromethyl-1H-pyrazole
IUPAC Name	5-(trifluoromethyl)-1H-pyrazole
InChI	InChI=1S/C4H3F3N2/c5-4(6,7)3-1-2-8-9-3/h1-2H,(H,8,9)
InChI Key	PYXNITNKYBLBMW-UHFFFAOYSA-N
MDL Number	MFCD00115018
Molecular Formula	C4H3F3N2
Molecular Weight	136.0752
SMILES	FC(F)(F)c1n[nH]cc1
Synonyms	3-(Trifluoromethyl)pyrazole, 20154-03-4, 3-(trifluoromethyl)-1H-pyrazole, 5-(trifluoromethyl)-1H-pyrazole, 1087160-38-0, 3-Trifluoromethylpyrazole, 3-trifluoromethyl-1h-pyrazole, 1H-Pyrazole, 3-(trifluoromethyl)-, MFCD00115018, trifluoromethylpyrazole, 5-Trifluoromethyl-1H-pyrazole, 3-(Trifluoromethyl)-1H-pyrazole, 97%, PubChem10164, PubChem10423, 3-trifluoromethylpyrazol, 3-trifluromethyl-pyrazol, ACMC-1CMGJ, 5-trifluoromethylpyrazole, AC1LXT7P, AC1Q4JHM, AC1Q4JHN, 3-trifluoromethyl pyrazole, 3-trifluoromethyl-pyrazole, 3-(trifluormethyl)-pyrazole, 3-(trifluoro methyl)pyrazole, 3-(trifluoromethyl)-pyrazole, KSC201S9J, SCHEMBL158876, PYR145, 3-(trifluoromethyl)1H-pyrazole, Jsp004117, CTK1A1994, PYXNITNKYBLBMW-UHFFFAOYSA-N, 3- (trifluoromethyl)-1H-pyrazole, 3-(Trifluoromethyl)pyrazole, 99%, ACT01772, BCP26510, EBD47932, KS-000004ZN, ZINC4243565, ANW-23932, BBL104324, CT-240, FC0664, MFCD09860582, QC-521, SBB000068, STK349510, WT2158, AKOS000309306, AKOS016000647, AB03471, AC-4792, ACN-000376, AN-2435, CM14484, CS-W009187, LS20463, MCULE-2532962340, PS-9117, RP01072, RTR-039388, TRA0076402, VP20066, AJ-49578, AK-24751, AK120922, BR-24751, CJ-11666, EN002268, Q553, SC-02225, SY008142, 20154-03-4 3-(Trifluoromethyl)pyrazole, AB0017660, AB1004407, AJ-132456, DB-009185, DB-032357, ST2406034, TR-039388, 4CH-000570, 4CH-017325, A4396, AM20090148, FT-0083396, FT-0613958, ST24028365, ST45123256, EN300-42356, MFCD00115018 (98%), C-5106, 154T034, I14-0683, S14-1842, W-206487, null, C4H3F3N2, ZINC04243565, ACN-025424, CID1807034, C2610, T2765, 3-(Trifluoromethyl)pyrazole, 98% - 1G 1g, 5-(trifluoromethyl)-1H-pyrazole, 95% - 1G 1g,

Complexity	101
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	136.025g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	136.077g/mol
Monoisotopic Mass	136.025g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	28.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number