AG003L6Z

29882-07-3 | 4-Chloro-1,1-dimethoxybutane

AG003L6Z

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CAS Number	29882-07-3
Catalog Number	AG003L6Z(AGN-PC-0JLNZO)
Chemical Name	4-Chloro-1,1-dimethoxybutane
EC Number	249-924-8
IUPAC Name	4-chloro-1,1-dimethoxybutane
InChI	InChI=1S/C6H13ClO2/c1-8-6(9-2)4-3-5-7/h6H,3-5H2,1-2H3
InChI Key	LTLKJYMNUSSFAH-UHFFFAOYSA-N
MDL Number	MFCD09032953
Molecular Formula	C6H13ClO2
Molecular Weight	152.6192
SMILES	ClCCCC(OC)OC
Synonyms	4-Chloro-1,1-dimethoxybutane, 29882-07-3, 4-Chlorobutanal dimethyl acetal, 4-Chlorobutyraldehyde Dimethyl Acetal, 4-CHLORO BUTANAL DIMETHYL ACETAL, 4-Chloro-1,1-dimethoxy-butane, 4-Chlorobutanal dimethyl acetal (for sumatriptan and other triptans), EINECS 249-924-8, ACMC-1CCPT, AC1Q3UKV, AC1L3US1, C6H13ClO2, 4,4-Dimethoxybutyl Chloride, 4-chlorobutanal dimethylacetal, KSC493M0B, 1,1-dimethoxy-4-chlorobutane, 1-Chloro-4,4-dimethoxybutane, SCHEMBL1769976, Jsp005651, CTK3J3600, DTXSID30184004, LTLKJYMNUSSFAH-UHFFFAOYSA-N, Butane, 4-chloro-1,1-dimethoxy-, ACT03057, ZINC5997614, ANW-26721, MFCD09032953, 4-Chlorobutanal Dimethyl Acetal 90%, AKOS006343270, AC-2017, CS-W008139, LS41642, KS-00000J92, AJ-55441, AK106086, AN-14377, AS-15841, BC219253, CJ-12846, SC-16980, AB0006065, AB1007901, DB-028827, RT-001570, 4-CHLORO BUTYALDEHYDE DIMETHYL ACETAL, FT-0638887, ST24043507, 882C073, I14-0178, Q-101939, 4-Chlorobutanaldimethylacetal, C6-H13-Cl-O2, AR-1G1447, CID122536, R048, C2179, M-3151, 30721-54-1,

Complexity	55
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	152.06g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	152.618g/mol
Monoisotopic Mass	152.06g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	18.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H315-H319-H226
Packing Group	Ⅲ
Precautionary statements	P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235
UN Code	UN 1993

Certificate of Analysis

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