AG004RPF

87227-41-6 | 2-(4-Bromobutyl)-1,3-dioxolane

AG004RPF

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CAS Number	87227-41-6
Catalog Number	AG004RPF(AGN-PC-00NYBS)
Chemical Name	2-(4-Bromobutyl)-1,3-dioxolane
IUPAC Name	2-(4-bromobutyl)-1,3-dioxolane
InChI	InChI=1S/C7H13BrO2/c8-4-2-1-3-7-9-5-6-10-7/h7H,1-6H2
InChI Key	UQTZEBQZCBQLAN-UHFFFAOYSA-N
MDL Number	MFCD02093454
Molecular Formula	C7H13BrO2
Molecular Weight	209.0809
SMILES	BrCCCCC1OCCO1
Synonyms	2-(4-Bromobutyl)-1,3-dioxolane, 87227-41-6, 5-Bromovaleraldehyde Ethylene Acetal, 2-(4-Bromo-butyl)-[1,3]dioxolane, ACMC-209qiz, SCHEMBL1061060, CTK3J6752, DTXSID40549241, UQTZEBQZCBQLAN-UHFFFAOYSA-N, CS-D0360, ZINC2576960, 1141AJ, 2-(4-Bromo-butyl)-[1,3dioxolane, ANW-38649, MFCD02093454, AKOS015840994, FCH1320582, OR52318, RTR-027303, KS-0000141Y, AJ-42569, AK139242, BC678335, AX8062059, TR-027303, 4CH-002397, ST24039404, 2-(4-Bromobutyl)-1,3-dioxolane, AldrichCPR, Z-4787, C7H13BrO2, B2128,

Complexity	81.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.01g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	209.083g/mol
Monoisotopic Mass	208.01g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	18.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 2810

Certificate of Analysis

Lot Number