AG00I935

50594-82-6 | Benzene, 1,2,3-trichloro-5-(trifluoromethyl)-

AG00I935

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CAS Number	50594-82-6
Catalog Number	AG00I935(AGN-PC-0KK61D)
Chemical Name	Benzene, 1,2,3-trichloro-5-(trifluoromethyl)-
EC Number	256-636-6
IUPAC Name	1,2,3-trichloro-5-(trifluoromethyl)benzene
InChI	InChI=1S/C7H2Cl3F3/c8-4-1-3(7(11,12)13)2-5(9)6(4)10/h1-2H
InChI Key	FBKFIAIRSQOXJR-UHFFFAOYSA-N
MDL Number	MFCD00035985
Molecular Formula	C7H2Cl3F3
Molecular Weight	249.4450
SMILES	FC(C1=CC(Cl)=C(Cl)C(Cl)=C1)(F)F
Synonyms	50594-82-6, 3,4,5-Trichlorobenzotrifluoride, 1,2,3-Trichloro-5-(trifluoromethyl)benzene, 3,4,5-Trichlorotrifluoromethylbenzene, Benzene, 1,2,3-trichloro-5-(trifluoromethyl)-, MFCD00035985, 3,4,5-TRICHLORO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE, 3,4,5-TRICHLORO-A,A,A-TRIFLUOROTOLUENE, 3,4,5-Trichlorobenzotrifluoride 98%, EINECS 256-636-6, AC1MBYSN, PubChem19737, EC 256-636-6, KSC914I9J, SCHEMBL981089, CTK8B4494, DTXSID00198633, 3,4,5-trichloro-benzotrifluoride, FBKFIAIRSQOXJR-UHFFFAOYSA-N, ZINC2243597, ANW-45289, SBB100622, AKOS009031528, 3,4,5-Trichloro-trifluoromethylbenzene, AS02970, CM13263, PF10184, RL03858, RTR-018073, VZ25419, 3,4,5-trichloro trifluoromethyl benzene, 1-trifluoromethyl-3,4,5-trichlorobenzene, AC-11802, AJ-34359, AN-41481, AS-12623, CJ-08034, SC-75736, T109, AB0012242, ST2402939, FT-0614130, ST50405198, TL80090376, C-4652, 3,4,5-trichloro-alpha,alpha,alpha-triflurotoluene, 3,4,5-trichloro-alpha,alpha,alpha--trifluorotoluene, W-105945, InChI=1/C7H2Cl3F3/c8-4-1-3(7(11,12)13)2-5(9)6(4)10/h1-2, C7H2Cl3F3, C7-H2-Cl3-F3, 3,4,5-trichlorotrifluorotoluene, 3,4,5-Trichloro benzotrifluoride, CID2733399, A7503, T2281, 3,4,5-Trichlorobenzotrifluoride, 97% - 1G 1g,

Complexity	170
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	247.917g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	249.438g/mol
Monoisotopic Mass	247.917g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number