AG003H24

822-87-7 | 2-Chlorocyclohexanone

AG003H24

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CAS Number	822-87-7
Catalog Number	AG003H24(AGN-PC-0JKB1F)
Chemical Name	2-Chlorocyclohexanone
EC Number	212-505-5
IUPAC Name	2-chlorocyclohexan-1-one
InChI	InChI=1S/C6H9ClO/c7-5-3-1-2-4-6(5)8/h5H,1-4H2
InChI Key	CCHNWURRBFGQCD-UHFFFAOYSA-N
MDL Number	MFCD00001626
Molecular Formula	C6H9ClO
Molecular Weight	132.5881
NSC Number	12439
SMILES	O=C1CCCCC1Cl
Synonyms	2-chlorocyclohexanone, 2-Chlorocyclohexanone, 822-87-7, CYCLOHEXANONE, 2-CHLORO-, alpha-Chlorocyclohexanone, 2-Chlorocyclohexonone, 2-chlorocyclohexan-1-one, .alpha.-Chlorocyclohexanone, MFCD00001626, EINECS 212-505-5, NSC 12439, CCHNWURRBFGQCD-UHFFFAOYSA-N, 2-Chlorocyclohexanone, 95%, stabilized, 2-chloro-1-cyclohexanone, 2-chlorocyclohexanon, 2-chlorocylohexanone, 2-chloro cyclohexanone, 2-chloro-cyclohexanone, ACMC-209ted, DSSTox_CID_1530, WLN: L6VTJ BG, 2-chloro-cyclohexan-1-one, AC1Q3P7W, DSSTox_RID_76200, DSSTox_GSID_21530, 2-Chlorocyclohexanone, 98%, KSC490E5D, SCHEMBL186361, CHEMBL3183260, DTXSID1021530, CTK3J0251, KS-00000VBL, AC1L2196, NSC12439, Tox21_200522, ANW-42371, BBL011103, NSC-12439, SBB061548, STK802347, AKOS001133267, AKOS016889127, MCULE-1580566298, RTR-025742, NCGC00248671-01, NCGC00258076-01, AN-47686, CAS-822-87-7, LS-57290, SC-20977, SY038921, DB-056596, TR-025742, FT-0632986, ST51047555, MFCD00001626 (97%), S14-0951, I14-21127, F0001-2107, C6H9ClO, UNII-1134E5H2KV, C6-H9-Cl-O, 1134E5H2KV, CID13203, c0965, ZINC03860268, 2-Chlorocyclohexanone, 95% - 100G 100g, 2-Chlorocyclohexanone (stabilized with HQ + CaCO3),

Complexity	101
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	132.034g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	132.587g/mol
Monoisotopic Mass	132.034g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H227-H315-H317-H319-H335
Packing Group	Ⅲ
Precautionary statements	P280a-P304+P340-P405-P501a-P261-P280-P305+P351+P338-P210-P264-P272-P302+P352+P333+P313+P363-P305+P351+P338+P337+P313-P403+P235-P501
Signal Words	warning
UN Code	UN 3335

Certificate of Analysis

Lot Number