AG003DPI

622-75-3 | 1,4-Phenylenediacetonitrile

AG003DPI

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CAS Number	622-75-3
Catalog Number	AG003DPI(AGN-PC-0JL8Y9)
Chemical Name	1,4-Phenylenediacetonitrile
EC Number	210-751-8
IUPAC Name	2-[4-(cyanomethyl)phenyl]acetonitrile
InChI	InChI=1S/C10H8N2/c11-7-5-9-1-2-10(4-3-9)6-8-12/h1-4H,5-6H2
InChI Key	FUQCKESKNZBNOG-UHFFFAOYSA-N
MDL Number	MFCD00001923
Molecular Formula	C10H8N2
Molecular Weight	156.1839
NSC Number	513731
SMILES	N#CCC1=CC=C(CC#N)C=C1
Synonyms	622-75-3, 1,4-Phenylenediacetonitrile, 1,4-Benzenediacetonitrile, p-Xylylene dicyanide, p-Phenylenediacetonitrile, 2,2'-(1,4-phenylene)diacetonitrile, p-Benzenediacetonitrile, 1,4-Bis(cyanomethyl)benzene, p-Bis(cyanomethyl)benzene, p-(Cyanomethyl)benzyl cyanide, 2-[4-(cyanomethyl)phenyl]acetonitrile, MFCD00001923, FUQCKESKNZBNOG-UHFFFAOYSA-N, 2-[4-(cyanomethyl)phenyl]ethanenitrile, p-xylylenedicyanide, p-Xylylene Cyanide, EINECS 210-751-8, NSC 513731, AI3-28790, ACMC-1BG9T, AC1L2BM8, AC1Q4S3H, para-phenylene diacetonitrile, alpha,alpha'-Dicyano-p-xylene, p-Benzenediacetonitrile (8CI), SCHEMBL2154504, DTXSID7060758, CTK2F5128, ZINC404455, 1,4-Phenylenediacetonitrile, 99%, ANW-34132, NSC513731, SBB068548, AKOS004905241, LS11281, NSC-513731, KS-00000H01, AC-16938, AJ-22393, AK-54644, AN-46742, AS-14850, M847, RT-001376, TL8004087, AM20040883, FT-0656280, ST24027221, ST50824568, A24728, I14-7347, W-105023, p-(Cyanomethyl)benzyl cyanide;p-Bis(cyanomethyl)benzene, InChI=1/C10H8N2/c11-7-5-9-1-2-10(4-3-9)6-8-12/h1-4H,5-6H, 1-Butynylbenzene, 1,4-Bis-(cyanomethyl)-benzene, C10H8N2, KST-1B6646, CID69327, AR-1B7449, C10-H8-N2, X0061, 6328-07-0,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	156.069g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	156.188g/mol
Monoisotopic Mass	156.069g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	47.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number