AG003JH8

403-54-3 | 3-Fluorobenzonitrile

AG003JH8

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CAS Number	403-54-3
Catalog Number	AG003JH8(AGN-PC-0JL83T)
Chemical Name	3-Fluorobenzonitrile
EC Number	206-963-5
IUPAC Name	3-fluorobenzonitrile
InChI	InChI=1S/C7H4FN/c8-7-3-1-2-6(4-7)5-9/h1-4H
InChI Key	JZTPKAROPNTQQV-UHFFFAOYSA-N
MDL Number	MFCD00001797
Molecular Formula	C7H4FN
Molecular Weight	121.1118
NSC Number	88310
SMILES	C1=C(C=CC=C1F)C#N
Synonyms	3-Fluorobenzonitrile, 403-54-3, m-Fluorobenzonitrile, Benzonitrile, 3-fluoro-, m-Cyanofluorobenzene, Benzonitrile, m-fluoro-, MFCD00001797, 1-CYANO-3-FLUOROBENZENE, 3-fluoro-Benzonitrile, 3-fluorobenzenecarbonitrile, 3-CYANOFLUOROBENZENE, JZTPKAROPNTQQV-UHFFFAOYSA-N, ncr cf, M-Fluorobenzonitile, NSC88310, 3-flourobenzonitrile, 5-fluorobenzonitrile, EINECS 206-963-5, NSC 88310, 3-fluoro benzonitrile, PubChem1579, AC1Q4RBJ, ACMC-1AGX4, AC1L28JE, 3-Fluorobenzonitrile, 98%, NCIOpen2_001525, SCHEMBL38165, KSC235O3L, Jsp006987, DTXSID0059954, Benzonitrile, m-fluoro- (8CI), CTK1D5735, KS-00000ECR, ZINC407069, ACT00831, JRD-0522, ANW-29381, NSC-88310, SBB063653, STL169024, 3-FLUORO-BENZOIC ACID-NITRILE, AKOS001079365, AC-2760, AF10036, AS03735, CM13067, CS-W013568, EBD2201758, MCULE-2656161127, PS-9224, RP19405, RTC-040231, TRA0030302, AJ-22587, AK-44669, AN-13640, BR-44669, CJ-04137, SC-04299, ZB013781, AB1008020, TC-040231, AM20060055, F0219, FT-0081755, FT-0615720, ST24032638, AZ0001-0174, I01-2407, W-106358, Z56346951, F9995-1504, InChI=1/C7H4FN/c8-7-3-1-2-6(4-7)5-9/h1-4, null, 3,5-Difluorotoluene, C7H4FN, 1,3-difluoro-5-methylbenzene, C7-H4-F-N, CID67880, AR-1K6616, 3-Fluorobenzonitrile, 98% - 25G 25g, A1679, A2421, M-5509, 117358-51-7, 17636-10-1, 483-55-6,

Complexity	135
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	121.033g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	121.114g/mol
Monoisotopic Mass	121.033g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H227-H301+H311+H331-H314-H412
Packing Group	Ⅲ
Precautionary statements	P280-P301+P310-P305+P351+P338
Signal Words	danger
UN Code	UN 3276

Certificate of Analysis

Lot Number