AG003ITF

6136-68-1 | 3-Acetylbenzonitrile

AG003ITF

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CAS Number	6136-68-1
Catalog Number	AG003ITF(AGN-PC-0JLSIO)
Chemical Name	3-Acetylbenzonitrile
EC Number	228-110-6
IUPAC Name	3-acetylbenzonitrile
InChI	InChI=1S/C9H7NO/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5H,1H3
InChI Key	SBCFGFDAZCTSRH-UHFFFAOYSA-N
MDL Number	MFCD00001806
Molecular Formula	C9H7NO
Molecular Weight	145.1580
NSC Number	210360
SMILES	N#CC1=CC=CC(C(C)=O)=C1
UNII	TSJ72034P9
Synonyms	3-Acetylbenzonitrile, 6136-68-1, m-Cyanoacetophenone, 3'-Cyanoacetophenone, Benzonitrile, 3-acetyl-, 3-acetyl-benzonitrile, 3-cyanoacetophenone, UNII-TSJ72034P9, 3-acetylbenzenecarbonitrile, SBCFGFDAZCTSRH-UHFFFAOYSA-N, TSJ72034P9, m-acetylbenzonitrile, EINECS 228-110-6, NSC210360, 3-acetyl benzonitrile, PubChem12649, AC1Q1JVI, AC1L2Z0J, AC1Q1JK2, 3-Acetylbenzonitrile 98+%, 3-Acetylbenzonitrile, 97%, ACMC-1BB96, SCHEMBL39137, KSC353S9J, 3-CN-C6H4-COCH3, CTK2F3994, DTXSID50210273, OTAVA-BB 1366736, 3-CYANOPHENYL METHYL KETONE, ACN-S003064, ACT07890, KS-00000BZ9, STR03196, ZINC1745805, AM1099, ANW-33787, BBL100017, MFCD00001806, RW2696, SBB059192, STL510972, AKOS007930840, AS01138, CM12899, CS-W004403, MCULE-4076434219, NSC-210360, PS-4054, RTR-021151, TRA0012377, AC-26105, AJ-31408, AK-78792, BR-78792, CJ-07003, CJ-29601, SC-14980, SY002919, AB0030538, AB1002468, Benzonitrile, 3-acetyl-;M-Cyanoacetophenone, DB-022169, ST2417435, TR-021151, C1993, FT-0615550, ST50823970, X2741, 3 inverted exclamation marka-Cyanoacetophenone, EN300-37505, A21000, Z-3337, 10568-EP2311830A1, 10568-EP2316452A1, MFCD00001806 (97+%), 136A681, I01-0335, W-111725, Z1235963252, InChI=1/C9H7NO/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5H,1H, 3'-Cyanoacetophenone C9H7NO 145.16 97-101 degrees 120 degrees /5mm 6136-68-1 228-110-6 MFCD00001806 UN3439 6.1 N, C9H7NO, C9-H7-N-O, CID80222, ACN-028985, 3-Acetylbenzonitrile, 98% - 25G 25g,

Complexity	201
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+H312+H332-H315-H319-H335
Precuationary statements	P261-P280-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number