AG003L71

6139-83-9 | 4-Chlorobutyraldehyde Diethyl Acetal

AG003L71

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CAS Number	6139-83-9
Catalog Number	AG003L71(AGN-PC-0JNXE9)
Chemical Name	4-Chlorobutyraldehyde Diethyl Acetal
IUPAC Name	4-chloro-1,1-diethoxybutane
InChI	InChI=1S/C8H17ClO2/c1-3-10-8(11-4-2)6-5-7-9/h8H,3-7H2,1-2H3
InChI Key	JGGRHRMHOUWCDX-UHFFFAOYSA-N
MDL Number	MFCD00671476
Molecular Formula	C8H17ClO2
Molecular Weight	180.6724
NSC Number	96467
SMILES	C(C(OCC)OCC)CCCl
Synonyms	6139-83-9, 4-Chlorobutyraldehyde diethyl acetal, 4-Chlorobutanal diethyl acetal, 4-chloro-1,1-diethoxybutane, 4-Chloro-1,1-diethoxy-butane, Butane, 4-chloro-1,1-diethoxy-, AK-44027, Q-200449, NSC96467, zlchem 528, ACMC-209msd, AC1Q3UKW, 4,4-diethoxybutyl chloride, AC1L67TL, C8H17ClO2, NCIOpen2_001659, 1,1-diethoxy-4-chlorobutane, SCHEMBL432588, 4-Chloro butanal diethyl acetal, 4-chlorobutyraldehydediethylacetal, Butane,4-chloro-1,1-diethoxy-, CTK5B3182, KS-00000JJY, DTXSID30294410, ZLC0393, 4-Chlorbutyraldehyde diethylacetal, JGGRHRMHOUWCDX-UHFFFAOYSA-N, ACT02748, BB_SC-08892, ZINC1621730, 4-chloro-butyraldehyde diethyl acetal, 4-Chlorobutanal diethyl acetal (for sumatriptan and other triptans), ANW-33803, BBL028864, MFCD00671476, NSC-96467, STL372728, AKOS006230074, AC-1447, gamma-chlorobutyraldehyde diethyl acetal, MCULE-4878606993, TRA0032171, AJ-28354, AN-14945, AS-17406, BC219252, BR-44027, CC-18894, CJ-05803, CJ-26149, SC-15595, SY030500, U979, AB0007006, TR-033127, FT-0601150, ST24032786, MFCD00671476 (95%), M-2891, 139C839, C-06774, I14-7778, 4-Bromobutyronitrile, 4-Chlorobutanaldiethylacetal, AR-1G1446, CID262598, C2717, 6186-91-0,

Complexity	72.5
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.092g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	180.672g/mol
Monoisotopic Mass	180.092g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	18.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H315-H319
Packing Group	Ⅲ
Precautionary statements	P210-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501
UN Code	UN 1993

Certificate of Analysis

Lot Number