AG003FD7

653-30-5 | 2-(Perfluorophenyl)acetonitrile

AG003FD7

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CAS Number	653-30-5
Catalog Number	AG003FD7(AGN-PC-0JL93R)
Chemical Name	2-(Perfluorophenyl)acetonitrile
EC Number	211-498-6
IUPAC Name	2-(2,3,4,5,6-pentafluorophenyl)acetonitrile
InChI	InChI=1S/C8H2F5N/c9-4-3(1-2-14)5(10)7(12)8(13)6(4)11/h1H2
InChI Key	YDNOJUAQBFXZCR-UHFFFAOYSA-N
MDL Number	MFCD00013814
Molecular Formula	C8H2F5N
Molecular Weight	207.1002
NSC Number	612875
SMILES	N#CCC1=C(F)C(F)=C(F)C(F)=C1F
Synonyms	653-30-5, 2,3,4,5,6-Pentafluorophenylacetonitrile, Pentafluorophenylacetonitrile, (Pentafluorophenyl)acetonitrile, 2-(Perfluorophenyl)acetonitrile, 2,3,4,5,6-pentafluorobenzyl cyanide, 2-(2,3,4,5,6-pentafluorophenyl)acetonitrile, MFCD00013814, NSC612875, Benzeneacetonitrile, 2,3,4,5,6-pentafluoro-, 2-(2,3,4,5,6-pentafluorophenyl)ethanenitrile, EINECS 211-498-6, NSC 612875, AC1Q4LAH, ACMC-1AY9X, AC1L2C4W, AC1Q4N5F, SCHEMBL1020839, CHEMBL1977371, CTK3J6483, YDNOJUAQBFXZCR-UHFFFAOYSA-, DTXSID10215643, Pentafluorophenylacetonitrile 98%, YDNOJUAQBFXZCR-UHFFFAOYSA-N, KS-000017TK, ZINC1612151, ZX-AP001922, BBL103763, PC5660, SBB064021, STL557573, 2,3,4,5,6-PentafluorobenzylCyanide, AKOS009157027, FCH2257483, FS-4263, MCULE-4510804834, NSC-612875, RTR-033151, VZ22078, AN-47095, BBV-34552759, CC-06603, CJ-26041, L015, NCI60_004873, SC-76609, 2,3,4,5,6-Pentafluorobenzeneacetonitrile, DB-054799, TR-033151, (2,3,4,5,6-Pentafluorophenyl)acetonitrile, FT-0632757, P2244, ST50306947, Z-0694, 2,3,4,5,6-pentafluoro-1-(cyanomethyl)benzene, 2,3,4,5,6-Pentafluorophenylacetonitrile, 99%, 2-(2,3,4,5,6-pentafluoro-phenyl)-acetonitrile, C-10393, InChI=1/C8H2F5N/c9-4-3(1-2-14)5(10)7(12)8(13)6(4)11/h1H2, C7F5N, C8H2F5N, (Chloromethyl)pentafluorobenzene, C8-H2-F5-N, KST-1A7436, Pentafluorophenylacetonitrile 100g, CID69554, AR-1A7762, D1059, 67845-39-0,

Complexity	233
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	207.011g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	207.103g/mol
Monoisotopic Mass	207.011g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302+H312+H332-H315-H319-H335-H302-H312-H331
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338-P304+P340-P405-P501a
UN Code	UN 3276

Certificate of Analysis

Lot Number