AG003KHZ

134450-56-9 | 4,5-Difluorophthalonitrile

AG003KHZ

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CAS Number	134450-56-9
Catalog Number	AG003KHZ(AGN-PC-00IT7C)
Chemical Name	4,5-Difluorophthalonitrile
IUPAC Name	4,5-difluorobenzene-1,2-dicarbonitrile
InChI	InChI=1S/C8H2F2N2/c9-7-1-5(3-11)6(4-12)2-8(7)10/h1-2H
InChI Key	KNDUBEZZKOOYMJ-UHFFFAOYSA-N
MDL Number	MFCD00061281
Molecular Formula	C8H2F2N2
Molecular Weight	164.1117
SMILES	N#CC1=CC(F)=C(F)C=C1C#N
Synonyms	4,5-difluorophthalonitrile, 134450-56-9, 1,2-Benzenedicarbonitrile, 4,5-difluoro-, ACMC-209bus, C8H2F2N2, SCHEMBL2783854, CTK4B9188, DTXSID10474793, 1,2-Dicyano-4,5-difluorobenzene, 6198AA, ANW-19634, MFCD00061281, ZINC71791098, AKOS015852974, FCH1414638, AS-46763, AJ-118676, AX8247461, TR-035637, D3963, KS-00001622, CID11960962,

Complexity	231
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.019g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	164.115g/mol
Monoisotopic Mass	164.019g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	47.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301+H311+H331-H315-H319
Packing Group	Ⅲ
Precautionary statements	P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501
UN Code	UN 2811

Certificate of Analysis

Lot Number