AG003IJM

36727-29-4 | 3,5,5-Trimethylhexanoyl chloride

AG003IJM

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CAS Number	36727-29-4
Catalog Number	AG003IJM(AGN-PC-0JPNCV)
Chemical Name	3,5,5-Trimethylhexanoyl chloride
EC Number	253-168-4
IUPAC Name	3,5,5-trimethylhexanoyl chloride
InChI	InChI=1S/C9H17ClO/c1-7(5-8(10)11)6-9(2,3)4/h7H,5-6H2,1-4H3
InChI Key	GEKPNPPFAYJZRD-UHFFFAOYSA-N
MDL Number	MFCD00044028
Molecular Formula	C9H17ClO
Molecular Weight	176.6837
SMILES	CC(C)(C)CC(C)CC(Cl)=O
Synonyms	3,5,5-Trimethylhexanoyl chloride, 36727-29-4, Isononanoic acid chloride, Hexanoyl chloride, 3,5,5-trimethyl-, 3,5,5-Trimethylhexanoylchloride, EINECS 253-168-4, GEKPNPPFAYJZRD-UHFFFAOYSA-N, Hexanoylchloride,3,5,5-trimethyl-, Hexanoyl chloride,3,5,5-trimethyl-, isononanoylchloride, ACMC-1AETZ, EC 253-168-4, AC1L4QD1, AC1Q3G9K, DSSTox_CID_29140, DSSTox_RID_83359, DSSTox_GSID_49284, SCHEMBL82660, CHEMBL3188000, DTXSID0049284, CTK4H7039, 3,5,5-trimethyl hexanoyl chloride, Tox21_202827, 3,5,5,-trimethyl hexanoyl chloride, ANW-28472, BBL011457, MFCD00044028, SBB061670, STL146569, 3,5,5-trimethyl-1-hexanoyl chloride, AKOS000120954, MCULE-1318704435, 3,5,5-Trimethylhexanoyl chloride, 98%, NCGC00260373-01, LS-75507, R845, CAS-36727-29-4, DB-048990, TC-117217, FT-0614416, ST51047663, A823346, W-109218, Isononanoyl chloride, UNII-Z2J193VP5M, C9-H17-Cl-O, Z2J193VP5M, AR-1E9382, AR-1E9383, CID161929, T0951, 4138-26-5, 41386-02-1,

Complexity	135
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.097g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	176.684g/mol
Monoisotopic Mass	176.097g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H290-H314-H332
Packing Group	Ⅲ
Precautionary statements	P234-P260-P264-P271-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501
UN Code	UN 3265

Certificate of Analysis

Lot Number