AG003LOS

104-47-2 | 4-Methoxyphenylacetonitrile

AG003LOS

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CAS Number	104-47-2
Catalog Number	AG003LOS(AGN-PC-03D0TG)
Chemical Name	4-Methoxyphenylacetonitrile
EC Number	203-206-0
IUPAC Name	2-(4-methoxyphenyl)acetonitrile
InChI	InChI=1S/C9H9NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6H2,1H3
InChI Key	PACGLQCRGWFBJH-UHFFFAOYSA-N
MDL Number	MFCD00001919
Molecular Formula	C9H9NO
Molecular Weight	147.1739
NSC Number	96
SMILES	C1=C(CC#N)C=CC(=C1)OC
Synonyms	4-Methoxyphenylacetonitrile, 104-47-2, 2-(4-methoxyphenyl)acetonitrile, 4-Methoxybenzyl cyanide, (4-methoxyphenyl)acetonitrile, p-Methoxyphenylacetonitrile, Benzeneacetonitrile, 4-methoxy-, p-Methoxybenzyl cyanide, Anisylacetonitrile, 4-Anisyl cyanide, p-Methoxybenzeneacetonitrile, Acetonitrile, (p-methoxyphenyl)-, NSC 96, ANISYL CYANIDE, 4-METHOXYBENZENEACETONITRILE, EINECS 203-206-0, MFCD00001919, 4-methoxyphenyl acetonitrile, BRN 0509162, (p-methoxyphenyl)acetonitrile, (4-Methoxy-phenyl)-acetonitrile, 2-(4-methoxyphenyl)ethanenitrile, PACGLQCRGWFBJH-UHFFFAOYSA-N, (4-Methoxyphenyl)acetonitrile, 97%, NSC96, (4-Methoxyphenyl) acetonitrile, p-Anisyl cyanide, p-Anisylacetonitrile, p-methoxybenzylcyanide, HOMOANISONITRILE, 4-Methoxybenzylcyanide, PubChem20331, 4-(Cyanomethyl)anisole, 4-methoxy benzyl cyanide, 4-methoxy-benzyl cyanide, AC1Q4CDQ, 4-methoxyphenylacetnitrile, p-Methoxy phenylacetonitrile, p-methoxyphenyl acetonitrile, 4-methoxy phenylacetonitrile, AC1L24GW, 4-(Methoxyphenyl)acetonitrile, 4-10-00-00555 (Beilstein Handbook Reference), KSC492S5N, SCHEMBL103029, (4-methoxy-phenyl)acetonitrile, ACMC-2098c4, NSC-96, PARAGOS 510025, CHEMBL2228958, DTXSID0051526, CTK3J2956, PACGLQCRGWFBJH-UHFFFAOYSA-, 2-(4-methoxyphenyl)-acetonitrile, 4-Methoxyphenylacetonitrile, 97%, OTAVA-BB 1779154, 4-Methoxyphenylacetic acid nitrile, HMS1748O04, ZINC157051, 2-(4-methoxy-phenyl)-acetonitrile, ACT07150, STR00862, ANW-15074, LABOTEST-BB LT00848055, LABOTEST-BB LT03331265, SBB055070, STL164355, AKOS000198026, AC-2495, AS01654, CS-W001932, MCULE-5855306851, RP17347, RTC-030997, TRA0003891, AJ-14858, AK-46718, AN-13936, BR-46718, CJ-01580, LS-13281, SC-25481, TS-03569, ZB006532, ST2411514, TC-030997, AM20020127, FT-0618955, M0856, ST50824094, AZ0001-0335, M-6278, 104M472, A800985, Q-200492, S01-0596, F0001-0088, Z118438310, InChI=1/C9H9NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6H2,1H3, 4-Methoxyphenol, 4-methoxyphenylacetonitril, 3-Methoxyphenylacetonitrile, C9H9NO, C9-H9-N-O, CID66031, 4-Methoxyphenylacetonitrile, 97% - 100G 100g, 4-Methoxybenzyl Cyanide for synthesis (4-Methoxyphenyl)Acetonitrile 100ml,

Complexity	150
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	147.068g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	147.177g/mol
Monoisotopic Mass	147.068g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	33A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H301-H402-H412
Precuationary statements	P264-P270-P301+P310a-P321-P405-P501a-P301+P310
Siginal words

Certificate of Analysis

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