AG001NAL

151361-87-4 | Benzene, 1-ethynyl-3,5-difluoro-

AG001NAL

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CAS Number	151361-87-4
Catalog Number	AG001NAL(AGN-PC-0L77DG)
Chemical Name	Benzene, 1-ethynyl-3,5-difluoro-
IUPAC Name	1-ethynyl-3,5-difluorobenzene
InChI	InChI=1S/C8H4F2/c1-2-6-3-7(9)5-8(10)4-6/h1,3-5H
InChI Key	OTDGZDMGSFBZLI-UHFFFAOYSA-N
MDL Number	MFCD04039982
Molecular Formula	C8H4F2
Molecular Weight	138.1142
SMILES	C(#C)c1cc(F)cc(c1)F
Synonyms	1-Ethynyl-3,5-difluorobenzene, 151361-87-4, BENZENE, 1-ETHYNYL-3,5-DIFLUORO-, 1-ethynyl-3,5-difluoro-benzene, AC1N5YAL, 3,5-Difluorophenylethyne, ACMC-20a6s2, 3,5-Difluorophenylacetylene, SCHEMBL314317, CTK4C7021, DTXSID40400843, OTDGZDMGSFBZLI-UHFFFAOYSA-N, Benzene,1-ethynyl-3,5-difluoro-, ZINC2526549, ANW-59712, MFCD04039982, SBB085995, AKOS010651617, 1-Ethynyl-3,5-difluorobenzene, 97%, AB17470, CS-W019127, NE19601, RP20403, AJ-37623, AK-40196, DS-13345, RT-006311, 1-ETHYNYL-3 5-DIFLUOROBENZENE 97, FT-0646925, ST24038005, A18231, J-008804, I14-47280, C8H4F2, CID4206806, Benzene, 1-ethynyl-3,5-difluoro- (9CI),

Complexity	146
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	138.028g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	138.117g/mol
Monoisotopic Mass	138.028g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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

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