AG00740M

402-31-3 | 1,3-Bis(trifluoromethyl)benzene

AG00740M

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CAS Number	402-31-3
Catalog Number	AG00740M(AGN-PC-0D4URD)
Chemical Name	1,3-Bis(trifluoromethyl)benzene
EC Number	206-939-4
IUPAC Name	1,3-bis(trifluoromethyl)benzene
InChI	InChI=1S/C8H4F6/c9-7(10,11)5-2-1-3-6(4-5)8(12,13)14/h1-4H
InChI Key	SJBBXFLOLUTGCW-UHFFFAOYSA-N
MDL Number	MFCD00000392
Molecular Formula	C8H4F6
Molecular Weight	214.1078
NSC Number	10342
SMILES	C1=C(C=CC=C1C(F)(F)F)C(F)(F)F
Synonyms	1,3-Bis(trifluoromethyl)benzene, 402-31-3, Benzene, 1,3-bis(trifluoromethyl)-, 1,3-Bis(trifluoromethyl)-benzene, 1,3-di(Trifluoromethyl)benzene, m-Bis(trifluoromethyl)benzene, m-ditrifluoromethylbenzene, alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-m-xylene, Hexafluoro-m-xylene, MTF-TFM, NSC 10342, a,a,a,a',a',a'-hexafluoro-m-xylene, 1,3-bistrifluoromethylbenzene, 1,3-bis-(Trifluoromethyl)benzene, SJBBXFLOLUTGCW-UHFFFAOYSA-N, alpha,alpha,alpha,beta,beta,beta-Hexafluoro-m-xylene, MFCD00000392, m-Xylene, .alpha.,.alpha.,.alpha.,.alpha.',.alpha.',.alpha.'-hexafluoro-, m-ditrifluorotoluene, NSC10342, EINECS 206-939-4, m-Xylene hexafluoride, PubChem8488, m-XHF, AI3-52239, ACMC-209jc2, EC 206-939-4, AC1L5CB3, SCHEMBL62723, KSC494S2B, Jsp006955, 2,6-bis(trifluoromethyl)benzene, 3,5-bis(trifluoromethyl)benzene, DTXSID1059949, 1,3-di(trifluoromethyl) benzene, Benzene,3-bis(trifluoromethyl)-, CTK3J4920, 1,3-bis(trifluoro-methyl)benzene, ZINC164380, 1,3-bis-(trifluoromethyl)-benzene, ANW-29328, NSC-10342, SBB094914, AKOS009031433, AS01035, CM12030, CS-W021277, MCULE-7243586038, PF10109, RTR-036718, 1,3-Bis(trifluoromethyl)benzene, 99%, AC-10618, AJ-16128, AN-44759, B105, BR-53801, CJ-02118, SC-46982, ZB008117, DB-023996, ST2408446, TL8002917, TR-036718, AM20060280, FT-0606581, ST50827080, M-6011, A824993, W-106376, Z1262252903, .alpha.,.alpha.,.alpha.',.alpha.',.alpha.'-Hexafluoro-m-xylene, m-Xylene, alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro- (8CI), m-Xylene,.alpha.,.alpha.,.alpha.',.alpha.',.alpha.'-hexafluoro-, .alpha.,.alpha.,.alpha.,.alpha.',.alpha.',.alpha.'-Hexafluoro-m-xylene, InChI=1/C8H4F6/c9-7(10,11)5-2-1-3-6(4-5)8(12,13)14/h1-4, C8H4F6, Bis(trifluoromethyl)benzene, 1,3-, C8-H4-F6, CID223106, ACN-055942, H0585, 1,3-Bis(trifluoromethyl)benzene, 98% - 25G 25g,

Complexity	171
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	214.022g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	214.11g/mol
Monoisotopic Mass	214.022g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

Lot Number