AG001JAE

1443-80-7 | Benzonitrile, 4-​acetyl-

AG001JAE

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CAS Number	1443-80-7
Catalog Number	AG001JAE(AGN-PC-005JTK)
Chemical Name	Benzonitrile, 4-​acetyl-
EC Number	215-885-0
IUPAC Name	4-acetylbenzonitrile
InChI	InChI=1S/C9H7NO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5H,1H3
InChI Key	NLPHXWGWBKZSJC-UHFFFAOYSA-N
MDL Number	MFCD00001825
Molecular Formula	C9H7NO
Molecular Weight	145.1580
SMILES	C(=O)(C)c1ccc(cc1)C#N
Synonyms	4-Acetylbenzonitrile, 1443-80-7, 4'-Cyanoacetophenone, Benzonitrile, 4-acetyl-, P-CYANOACETOPHENONE, 4-Cyanoacetophenone, p-Acetylbenzonitrile, 4-AcetYl-Benzonitrile, Benzonitrile, p-acetyl-, 4-Cyanophenyl methyl ketone, NLPHXWGWBKZSJC-UHFFFAOYSA-N, MFCD00001825, 4-Acetylbenzonitrile (4'-Cyanoacetophenone), 4-acetylbenzenecarbonitrile, 4-Acetylbenzonitrile, 98+%, 4-acetylbenznitrile, Paracyanoacetophenone, EINECS 215-885-0, para-cyanoacetophenone, 4-Cyano acetophenone, 4-acetyl benzonitrile, PubChem3305, AC1Q1JNS, 1-Acetyl-4-benzonitrile, ACMC-1C0SD, AC1L2L2D, AC1Q4RD3, 4-Acetylbenzonitrile, 99%, SCHEMBL163209, CHEMBL255115, Jsp002600, CTK0H6244, DTXSID10162668, OTAVA-BB 1902005, ZINC167039, ACT08047, KS-00000C2Q, STR03197, ANW-20851, BBL012225, SBB063042, STK063185, AKOS000118782, AM84403, AN-5117, AS05151, CS-W001929, MCULE-7273449131, RTC-060624, TRA0015320, VZ28166, AC-26106, AJ-16569, AK-44531, BR-44531, CJ-02345, SC-76905, SY012989, ZB008718, AB0022316, AB1002463, ST2411051, TC-060624, 4CH-013280, FT-0618294, ST50823971, W3150, 4 inverted exclamation marka-Cyanoacetophenone, MFCD00001825 (98%), A21002, S-1355, AE-562/40237167, I01-0173, W-108156, F1905-7162, 4'-Cyanoacetophenonele;Paracyanoacetophenone;Benzonitrile,4-acetyl-, InChI=1/C9H7NO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5H,1H, 4'-Cyanoacetophenone C9H7NO 145.16 55-58 degrees 95-96 degrees /14mm 1443-80-7 215-885-0 MFCD00001825 UN3439 6.1 N, 1-(p-Tolyl)ethanone, 4/'-Cyanoacetophenone, C9H7NO, C9-H7-N-O, CID74044, AR-1K9790, c1141, ACN-001291, 17228-70-5, 7333-67-7,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	145.053g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	145.161g/mol
Monoisotopic Mass	145.053g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	40.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302
Precuationary statements	P280-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number