AG003DHH

802-93-7 | 1,3-Bis(2-hydroxyhexafluoroisopropyl)benzene

AG003DHH

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CAS Number	802-93-7
Catalog Number	AG003DHH(AGN-PC-0UGUCT)
Chemical Name	1,3-Bis(2-hydroxyhexafluoroisopropyl)benzene
EC Number	212-354-5
IUPAC Name	1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol
InChI	InChI=1S/C12H6F12O2/c13-9(14,15)7(25,10(16,17)18)5-2-1-3-6(4-5)8(26,11(19,20)21)12(22,23)24/h1-4,25-26H
InChI Key	PGUIOHNOYADLMU-UHFFFAOYSA-N
MDL Number	MFCD00042090
Molecular Formula	C12H6F12O2
Molecular Weight	410.1557
NSC Number	96341
SMILES	OC(C1=CC=CC(C(C(F)(F)F)(O)C(F)(F)F)=C1)(C(F)(F)F)C(F)(F)F
Synonyms	802-93-7, 1,3-Bis(2-hydroxyhexafluoroisopropyl)benzene, 1,3-Bis(hexafluoro-2-hydroxyisopropyl)benzene, 1,3-Bis(hexafluoro-alpha-hydroxyisopropyl)benzene, alpha,alpha,alpha',alpha'-Tetrakis(trifluoromethyl)-1,3-benzenedimethanol, PGUIOHNOYADLMU-UHFFFAOYSA-N, 1,3-Bis(alpha-hydroxyhexafluoroisopropyl)benzene, MFCD00042090, a,a,a',a'-tetrakis(trifluoromethyl)-1,3-benzenedimethanol, 1,3-Benzenedimethanol, .alpha.,.alpha.,.alpha.',.alpha.'-tetrakis(trifluoromethyl)-, 1,3-Bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropyl)benzene, 1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol, C12H6F12O2, NSC96341, EINECS 212-354-5, 1,3 hfab, AC1L2CZT, AC1Q4IG2, SCHEMBL832913, CTK8B4041, PC1228B, ZX-AP001707, 9951AE, ANW-43752, NSC-96341, ZINC68591179, 1,3-Benzenedimethanol, alpha,alpha,alpha',alpha'-tetrakis(trifluoromethyl)-, 1,3-Benzenedimethanol, alpha1,alpha1,alpha3,alpha3-tetrakis(trifluoromethyl)-, AKOS004904222, alpha,alpha,alpha',alpha'-Tetrakis(trifluoromethyl)-m-xylene-alpha,alpha'-diol, PS-10992, TR-031062, B1403, FT-0606576, 1,3-Bis-(2-hydroxyhexafluoroisopropyl)benzene, 1,3-bis(2-hydroxyhexa-fluoro-2-propyl)benzene, 1,3-bis(hexafluoro 2-hydroxy-2-propyl)benzene, 1,3-bis-(Hexafluoro-2-hydroxyisopropyl)benzene, Y-8754, 1,3-Bis[perfluoro(2-hydroxyprop-2-yl)]benzene, C-21892, I01-13537, 2,2'-m-Phenylenebis(1,1,1,3,3,3-hexafluoro-2-propanol), 1,3-Bis(1,1,1,3,3,3-hexafluoro-2-hydroxyprop-2-yl)benzene, 1, .alpha.,.alpha.,.alpha.',.alpha.'-tetrakis(trifluoromethyl)-, 1,3-Bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropyl)benzene, 88%, 1,3-bis-(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoroethyl)-benzene, 1,3-bis-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethylethyl)-benzene, 2,2'-(1,3-Phenylene)bis(1,1,1,3,3,3-hexafluoropropan-2-ol), 2,2'-(Benzene-1,3-diyl)bis(1,1,1,3,3,3-hexafluoropropan-2-ol), alpha,alpha,alpha',alpha'-tetrakis(trifluoromethyl)-3-benzenedimethanol, alpha,alpha,alpha'alpha'-tetrakis(trifluoromethyl)-1,3-benzenedimethanol, 1,3-Benzenedimethanol, .alpha.1,.alpha.1,.alpha.3,.alpha.3-tetrakis(trifluoromethyl)-, m-Xylene-.alpha., .alpha.,.alpha.,.alpha.',.alpha.'-tetrakis(trifluoromethyl)-, CID69933, AR-1H6039, C12-H6-F12-O2, alpha,alpha,alpha',alpha'-Tetrakis(trifluoromethyl)-1,3-benzenedimethanol, 98% - 1G 1g, 84613-97-8,

Complexity	428
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	410.018g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	14
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	410.159g/mol
Monoisotopic Mass	410.018g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.6

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

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