AG003IIM

78164-31-5 | 1,2-Dimethyl-4-(trifluoromethyl)benzene

AG003IIM

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CAS Number	78164-31-5
Catalog Number	AG003IIM(AGN-PC-0KK8AI)
Chemical Name	1,2-Dimethyl-4-(trifluoromethyl)benzene
IUPAC Name	1,2-dimethyl-4-(trifluoromethyl)benzene
InChI	InChI=1S/C9H9F3/c1-6-3-4-8(5-7(6)2)9(10,11)12/h3-5H,1-2H3
InChI Key	XBHTYKIYEUHMIA-UHFFFAOYSA-N
MDL Number	MFCD00079783
Molecular Formula	C9H9F3
Molecular Weight	174.1630
SMILES	FC(C1=CC=C(C)C(C)=C1)(F)F
Synonyms	3,4-Dimethylbenzotrifluoride, 1,2-dimethyl-4-(trifluoromethyl)benzene, 78164-31-5, 4-(Trifluoromethyl)-o-xylene, PubChem16465, AC1MC6SH, SCHEMBL1755260, KS-00003RAK, DTXSID80371841, PC3009T, XBHTYKIYEUHMIA-UHFFFAOYSA-N, ZINC2571874, ZX-AP001882, FCH918078, KM1899, MFCD00079783, SBB088890, 1,2-Dimethyl-4-trifluoromethylbenzene, 1-trifluoromethyl-3,4-dimethylbenzene, AKOS006229591, AM82888, MCULE-1659245344, PS-8630, AJ-41945, AK135822, AX8082133, Benzene, 1,2-dimethyl-4-(trifluoromethyl)-, CS-0077626, FT-0614376, ST50408157, A839353, CID2737108,

Complexity	150
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	174.066g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	174.166g/mol
Monoisotopic Mass	174.066g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

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