AG003FEQ

5216-17-1 | 2,3,5,6-Tetrafluorobenzonitrile

AG003FEQ

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CAS Number	5216-17-1
Catalog Number	AG003FEQ(AGN-PC-0JPFYQ)
Chemical Name	2,3,5,6-Tetrafluorobenzonitrile
IUPAC Name	2,3,5,6-tetrafluorobenzonitrile
InChI	InChI=1S/C7HF4N/c8-4-1-5(9)7(11)3(2-12)6(4)10/h1H
InChI Key	IOQMWOBRUDNEOA-UHFFFAOYSA-N
MDL Number	MFCD00012286
Molecular Formula	C7HF4N
Molecular Weight	175.0832
NSC Number	168722
SMILES	N#CC1=C(F)C(F)=CC(F)=C1F
Synonyms	2,3,5,6-Tetrafluorobenzonitrile, 5216-17-1, 2,3,5,6-tetrafluorobenzenecarbonitrile, NSC168722, PubChem23299, 4H-Perfluorobenzonitrile, ACMC-1AK3K, AC1L6RS4, SCHEMBL809118, CTK3J4965, DTXSID50304989, IOQMWOBRUDNEOA-UHFFFAOYSA-N, ZINC155260, 2,3,5,6-tetrafluoro-benzonitrile, ANW-31416, MFCD00012286, SBB088995, AKOS005257979, MCULE-1264470028, NSC-168722, VZ22136, KS-000011W0, AJ-13485, PS-10130, T153, ZB006003, 2,3,5,6-Tetrafluorobenzonitrile_x000D_, DB-052080, RT-002280, FT-0609425, ST50307854, X4299, 2,3,5,6-tetrakis(fluoranyl)benzenecarbonitrile, K-9547, A828948, C7HF4N, CID297546, ACN-032385, T1857, 2,3,5,6-Tetrafluorobenzonitrile, 99% - 1G 1g,

Complexity	197
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	175.005g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	175.086g/mol
Monoisotopic Mass	175.005g/mol
Rotatable Bond Count	0
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-H311-H315-H319-H332
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338-P310
UN Code	UN 3439

Certificate of Analysis

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