AG005I4G

705-44-2 | 3-Trifluoromethoxytoluene

AG005I4G

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CAS Number	705-44-2
Catalog Number	AG005I4G(AGN-PC-0KL26A)
Chemical Name	3-Trifluoromethoxytoluene
IUPAC Name	1-methyl-3-(trifluoromethoxy)benzene
InChI	InChI=1S/C8H7F3O/c1-6-3-2-4-7(5-6)12-8(9,10)11/h2-5H,1H3
InChI Key	WRNXOOXIPSTAGJ-UHFFFAOYSA-N
MDL Number	MFCD07366526
Molecular Formula	C8H7F3O
Molecular Weight	176.1358
SMILES	FC(F)(F)OC1=CC(C)=CC=C1
Synonyms	1-methyl-3-(trifluoromethoxy)benzene, 705-44-2, 3-(trifluoromethoxy)toluene, 3-Trifluoromethoxytoluene, Benzene,1-methyl-3-(trifluoromethoxy)-, PubChem4622, AC1MD3YK, ACMC-209of3, SCHEMBL12245, CTK5D2563, trifluoro(3-methylphenoxy)methane, DTXSID00382494, ACT13401, ZX-AP004590, 1-Methyl-3-trifluoromethoxy-benzene, ANW-35917, FCH918812, MFCD07366526, PC6982, SBB089132, ZINC14592876, AKOS005063646, AC-9833, AM62083, AS02085, CM13977, AJ-64986, AK113227, Benzene, 1-methyl-3-(trifluoromethoxy)-, PS-11649, SC-06431, AX8089291, TR-023342, CS-0087892, FT-0654191, ST24038098, X4538, A19641, B-5027, I01-4951, I01-7277, C8H7F3O, CID2783187,

Complexity	144
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.045g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	176.138g/mol
Monoisotopic Mass	176.045g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

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