AG0033PA

170572-49-3 | 3-Fluoro-4-Methylbenzonitrile

AG0033PA

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CAS Number	170572-49-3
Catalog Number	AG0033PA(AGN-PC-0JTBD6)
Chemical Name	3-Fluoro-4-Methylbenzonitrile
IUPAC Name	3-fluoro-4-methylbenzonitrile
InChI	InChI=1S/C8H6FN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,1H3
InChI Key	KUQQONVKIURIQU-UHFFFAOYSA-N
MDL Number	MFCD00153174
Molecular Formula	C8H6FN
Molecular Weight	135.1383
SMILES	N#Cc1ccc(c(F)c1)C
Synonyms	3-Fluoro-4-methylbenzonitrile, 170572-49-3, 3-Fluoro-p-tolunitrile, 4-cyano-2-fluorotoluene, 2-Fluoro-4-cyanotoluene, Benzonitrile, 3-fluoro-4-methyl-, 4-methyl-3-fluorobenzonitrile, 3-fluoro-4-methyl-benzonitrile, KUQQONVKIURIQU-UHFFFAOYSA-N, 3-fluoro-4-methylbenzenecarbonitrile, MFCD00153174, Benzonitrile, 3-Fluoro-4-Methyl- (9Ci), ncr cf d1, PubChem1557, AC1LBM7O, AC1Q2FET, AC1Q2QSL, Intermediates-ZCF02271, KSC179Q3R, SCHEMBL100004, ACMC-209e19, CTK0H9838, KS-00000EFG, 3-Fluoro-4-methylbenzonitrile #, DTXSID10342862, ACT04490, BCP24581, JRD-0309, ZINC2526234, 3-Fluoro-4-methylbenzonitrile 98%, ANW-22459, CF-130, SBB055119, STK094750, 3-Fluoro-4-methylbenzonitrile, 97%, AKOS001426179, AC-5995, AF10026, AM61374, AS01683, AS02711, CM13092, CS-W002443, LS10444, MCULE-3059254121, PS-9119, RP20197, RTC-040292, TRA0034919, VZ26826, UPCMLD0ENAT5900977:001, 3 - Fluoro - 4 - methyl-benzonitrile, AJ-37573, AK-27738, BR-27738, CJ-08874, EN002120, SC-01655, AB0012057, DB-023773, ST2417705, TC-040292, TL8001340, F0424, FT-0618283, FT-0657909, ST50949434, EN300-21710, M-3396, 572F493, I01-0351, I01-4648, I01-6753, J-512496, 3-BROMOBENZONITRILE, C8H6FN, ACN-S002023, AR-1K6617, CID585140, ZINC02526234, 3-Fluoro-4-methylbenzonitrile, 98% - 25G 25g, 4841-22-9,

Complexity	158
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	135.048g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	135.141g/mol
Monoisotopic Mass	135.048g/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	H301-H311-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338-P311
UN Code	UN 3439

Certificate of Analysis

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