AG00348Y

5891-21-4 | 5-Chloro-2-pentanone

AG00348Y

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CAS Number	5891-21-4
Catalog Number	AG00348Y(AGN-PC-00G6YR)
Chemical Name	5-Chloro-2-pentanone
EC Number	227-565-8
IUPAC Name	5-chloropentan-2-one
InChI	InChI=1S/C5H9ClO/c1-5(7)3-2-4-6/h2-4H2,1H3
InChI Key	XVRIEWDDMODMGA-UHFFFAOYSA-N
MDL Number	MFCD00001008
Molecular Formula	C5H9ClO
Molecular Weight	120.5774
SMILES	O=C(C)CCCCl
Synonyms	5-Chloro-2-pentanone, 5-Chloropentan-2-one, 5891-21-4, 2-Pentanone, 5-chloro-, 1-Chloro-4-pentanone, 3-Chloropropyl methyl ketone, 2-Pentanone 5-chloro-, NSC 8427, MFCD00001008, 1-Chloro-4-oxopentane, EINECS 227-565-8, NSC 60210, AI3-08709, XVRIEWDDMODMGA-UHFFFAOYSA-N, 5-Chloro-2-pentanone, 90%, PubChem17207, 3-Acetylpropyl chloride, 5-chloro-pentan-2-one, 5-chloranylpentan-2-one, AC1L2YIY, AC1Q3UJU, AC1Q1K5Y, ACETYLPROPYL CHLORIDE, Methyl 3-chloropropyl ketone, KSC272O3J, SCHEMBL724425, DTXSID9064053, CTK1H2734, XVRIEWDDMODMGA-UHFFFAOYSA-, 3-Chloroprop-1-yl methyl ketone, NSC8427, EBD17706, NSC-8427, NSC60210, ZINC1586735, ANW-33069, BBL010617, NSC-60210, STK067503, AKOS000121103, CS-W013569, MCULE-7158553745, MP-2160, RP19394, RTR-020444, TRA0010579, KS-00000C32, AJ-27578, AK-48368, AS-11943, CJ-05536, CJ-25291, SC-15510, DB-053284, LS-101919, ST2411966, TR-020444, FT-0620282, 5-Chloro-2-pentanone, technical grade, 85%, A832801, 5-Chloropentan-2-one; Methyl 3-chloropropyl ketone, Q-200538, S14-1107, 5-Chloro-2-pentanone, stab. with potassium carbonate, F0001-1541, InChI=1/C5H9ClO/c1-5(7)3-2-4-6/h2-4H2,1H3, C5H9ClO, 1-Chloropentan-4-one, 5-Chloro-2-iodopyrimidine, C5-H9-Cl-O, CID79993, 5-Chloro-2-pentanone, 94% 25g, AR-1G7870, c0867, 5-Chloro-2-pentanone, 97% - 100G 100g, 2-Pentanone, 5-chloro- (6CI,7CI,8CI,9CI), 606-00-8,

Complexity	61.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	120.034g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	120.576g/mol
Monoisotopic Mass	120.034g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 1224

Certificate of Analysis

Lot Number