AG003KBN

455-24-3 | 4-(Trifluoromethyl)Benzoic Acid

AG003KBN

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CAS Number	455-24-3
Catalog Number	AG003KBN(AGN-PC-0HB80T)
Chemical Name	4-(Trifluoromethyl)Benzoic Acid
EC Number	207-242-8
IUPAC Name	4-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)
InChI Key	SWKPKONEIZGROQ-UHFFFAOYSA-N
MDL Number	MFCD00002562
Molecular Formula	C8H5F3O2
Molecular Weight	190.1193
NSC Number	88327
SMILES	C1=C(C=CC(=C1)C(O)=O)C(F)(F)F
UNII	KA05X8S21Z
Synonyms	4-(trifluoromethyl)benzoic acid, 4-TFMBA, p-trifluoromethylbenzoic acid, para-(trifluoromethyl)benzoic acid, 4-(Trifluoromethyl)benzoic acid, 455-24-3, 4-TRIFLUOROMETHYLBENZOIC ACID, p-Trifluoromethylbenzoic acid, alpha,alpha,alpha-Trifluoro-p-toluic acid, Benzoic acid, 4-(trifluoromethyl)-, P-CARBOXYBENZOTRIFLUORIDE, 4-trifluoromethyl benzoic acid, 4-Trifluoromethyl-benzoic acid, a,a,a-trifluoro-p-toluic acid, PTF-BOA, 4-Carboxybenzotrifluoride, p-trifluoroformylbenzoic acid, UNII-KA05X8S21Z, KA05X8S21Z, CHEBI:60696, SWKPKONEIZGROQ-UHFFFAOYSA-N, MFCD00002562, 4-(Trifluoromethyl)benzoic acid, 98%, .alpha.,.alpha.,.alpha.-trifluoro-p-toluic acid, EINECS 207-242-8, NSC 88327, P-CF3 benzoic acid, PubChem5474, PubChem14122, ACMC-1AQVI, Enamine_005626, AC1L1U7B, NCIOpen2_001327, SCHEMBL78879, KSC235O8B, paratrifluoromethylbenzoic acid, AKOS AKM01152, 4-(Trifluoromethyl)benzoicAcid, AC1Q734V, CHEMBL443234, p-(trifluoromethyl)benzoic acid, RARECHEM AL BO 0066, DTXSID0060018, CTK1D5780, KS-00000CAP, TIMTEC-BB SBB008571, 4-(trifluoromethyl)-benzoic acid, HMS1409P16, JRD-0668, NSC88327, ZINC6661362, ANW-30300, EBD581020, HTS006420, LABOTEST-BB LT00455015, LABOTEST-BB LT03331490, NSC-88327, SBB008571, STL169371, AKOS000118809, AC-2487, AS00925, BS-4038, CM12895, CS-W015914, LS10230, MCULE-7418058778, PF10838, RP24967, RTC-060523, SB13067, TRA0058684, AJ-56529, AK-73059, AN-13928, BP-11456, BR-73059, SC-04660, SY001624, AB1003260, DB-024077, ST2411047, TC-060523, TL8002482, AM20060101, FT-0619542, ST45027541, EN300-17345, MFCD00002562 (98%), A20140, Q-8888, 31545-EP2308858A1, 31545-EP2311816A1, 31545-EP2311817A1, AO-801/41077414, 3S210967, I01-0541, W-106130, F0001-1231, InChI=1/C8H5F3O2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13, 3AE, qvr dxfff, C8H5F3O2, CID9966, C8-H5-F3-O2, AR-1L3018, 2-Hydroxy-4-trifluoromethylbenzoic acid, 3-(3-(Trifluoromethoxy)phenyl)propanoic acid, T1145, 4-(Trifluoromethyl)benzoic acid, 99% - 100G 100g, |A,|A,|A-Trifluoro-p-toluic acid; 4-Carboxybenzotrifluoride, 168833-77-0, 23228-45-7, 328-90-5, 4892-31-3, 657-06-7,

Complexity	192
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.024g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	190.121g/mol
Monoisotopic Mass	190.024g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

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