AG003IB0

98-17-9 | 3-(Trifluoromethyl)phenol

AG003IB0

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CAS Number	98-17-9
Catalog Number	AG003IB0(AGN-PC-0JK827)
Chemical Name	3-(Trifluoromethyl)phenol
EC Number	202-645-5
IUPAC Name	3-(trifluoromethyl)phenol
InChI	InChI=1S/C7H5F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4,11H
InChI Key	UGEJOEBBMPOJMT-UHFFFAOYSA-N
MDL Number	MFCD00002299
Molecular Formula	C7H5F3O
Molecular Weight	162.1092
NSC Number	9884
SMILES	OC1=CC=CC(C(F)(F)F)=C1
Synonyms	3-trifluoromethylphenol, alpha,alpha,alpha-trifluoro-m-cresol, 3-(Trifluoromethyl)phenol, 98-17-9, 3-Trifluoromethylphenol, 3-Hydroxybenzotrifluoride, m-trifluoromethylphenol, m-Hydroxybenzotrifluoride, Phenol, 3-(trifluoromethyl)-, m-(Trifluoromethyl)phenol, alpha,alpha,alpha-Trifluoro-m-cresol, a,a,a-trifluoro-m-cresol, phenol, 3-(trifluoromethyl), 3-trifluoromethyl phenol, 3-Trifluoromethyl-phenol, NSC 9884, EINECS 202-645-5, MFCD00002299, 3-(trifluoromethyl) phenol, 5-TRIFLUOROMETHYLPHENOL, 3-Hydroxy-alpha,alpha,alpha-trifluorotoluene, UGEJOEBBMPOJMT-UHFFFAOYSA-N, m-CRESOL, alpha,alpha,alpha-TRIFLUORO-, m-Cresol, .alpha.,.alpha.,.alpha.-trifluoro-, alpha,alpha,alpha-Trifluoro-m-cresol, 98+%, PubChem5441, 3-trifluoromethylplienol, m-trifluoromethyl-phenol, meta-trifluoromethylphenol, AC1L1OMD, 3-hydroxy benzotrifluoride, 3-hydroxy-benzotrifluoride, m-CF3C6H4OH, meta-trifluoromethyl phenol, ACMC-209s9s, EC 202-645-5, AC1Q4JN0, AC1Q78IT, SCHEMBL40389, KSC235A7N, CHEMBL57877, ALPHA,A,A-Trifluoro-m-cresol, DTXSID7052658, TIMTEC-BB SBB008329, NSC9884, 3-(Trifluoromethyl)phenol, 99%, BDBM108237, ZINC164582, 3-(1,1,1-trifluoromethyl)phenol, NSC-9884, .alpha.,.alpha.-Trifluoro-m-cresol, ANW-40910, BBL009723, SBB008329, STL141088, alpha,alpha,alpha,-trifluoro-m-cresol, AKOS000119745, AF10083, alpha, alpha, alpha-trifluoro-m-cresol, AS00196, CM11809, CS-W010869, FR-1237, MCULE-4960314711, PS-8757, RP22475, RTC-010861, AC-10892, AJ-16221, AK-44156, LS-55448, M‐trifluoromethylphenol (Hit 5), SC-07492, TL806235, ZB008210, DB-028582, TC-010861, .alpha.,.alpha.,.alpha.-Trifluoro-m-cresol, AM20050022, FT-0628939, ST24032577, ST50406721, B-1279, 47726-EP2298750A1, 47726-EP2311811A1, 182297-EP2269977A2, 182297-EP2274983A1, I01-0891, W-100090, F0001-2315, Z1262253018, InChI=1/C7H5F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4,11, 1-TRIFLUOROMETHYL,3-HYDROXY-BENZENE (3-HYDROXI-TOLUENE,ALPHA,ALPHA,ALPHA-TRIFLUORO), m-Hydroxybenzotrifluoride ; 3-Hydroxybenzotrifluoride ; 3-(Trifluoromethyl)phenol ; alpha,alpha,alpha-Trifluoro-m-cresol, trifluoro-m-cresol, C7H5F3O, CID7376, C7-H5-F3-O, ACN-S002291, alpha-alpha-alpha-trifluor-m-cresol, AR-1J6922, m-Cresol,.alpha.,.alpha.-trifluoro-, T0436, 3-(Trifluoromethyl)phenol, 98% - 100G 100g, 5466-07-9,

Complexity	132
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	162.029g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	162.111g/mol
Monoisotopic Mass	162.029g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

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