AG0034IA

3587-60-8 | Benzyl chloromethyl ether

AG0034IA

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CAS Number	3587-60-8
Catalog Number	AG0034IA(AGN-PC-0WACKZ)
Chemical Name	Benzyl chloromethyl ether
EC Number	252-527-2
IUPAC Name	chloromethoxymethylbenzene
InChI	InChI=1S/C8H9ClO/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChI Key	LADPCMZCENPFGV-UHFFFAOYSA-N
MDL Number	MFCD00000886
Molecular Formula	C8H9ClO
Molecular Weight	156.6095
SMILES	ClCOCC1=CC=CC=C1
Synonyms	Benzyl chloromethyl ether, 3587-60-8, (Chloromethoxymethyl)benzene, [(chloromethoxy)methyl]benzene, Benzyloxymethyl chloride, chloromethoxymethylbenzene, ((Chloromethoxy)methyl)benzene, Chloromethoxymethyl-benzene, 35364-99-9, benzyl chloromethylether, Benzene, [(chloromethoxy)methyl]-, MFCD00000886, benzyl (chloromethyl) ether, {(chloromethoxy)methyl}benzene, Benzyl chloromethyl ether, 75%, 1-((chloromethoxy)methyl)benzene, 1-[(CHLOROMETHOXY)METHYL]BENZENE, BOMCl, EINECS 252-527-2, benzyloxymethylchloride, chloromethylbenzylether, BOM-Cl, choromethylbenzyl ether, PubChem7566, chloromethyl benzylether, chloromethylbenzyl ether, benzyl chlormethyl ether, chloromethyl benzyl ether, ACMC-209uy5, chloro(phenylmethoxy)methane, AC1L3BT1, SCHEMBL19520, LADPCMZCENPFGV-UHFFFAOYSA-N, KS-00000D2N, ZINC2242621, ANW-44379, FC0717, AKOS006221189, AN-1129, MCULE-4475466082, TRA0083375, AM100720, M035, SC-03811, SY003069, AB0015017, AB1003842, TC-133124, B1207, FT-0600021, ST51037159, TL80073966, MFCD00000886 (90%), Benzyl chloromethyl ether, technical, ~60% (NMR), I01-7900, J-650079, F8881-5092, InChI=1/C8H9ClO/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6-7H, null, 4-Fluorothiophenol, Benzylchloromethylether, C8H9ClO, BENZYLCHLOROMETHYL ETHER, C8-H9-Cl-O, CID137983, ZINC02242621, Benzyl chloromethyl ether, 95% - 10G 10g,

Complexity	79.3
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	156.034g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	156.609g/mol
Monoisotopic Mass	156.034g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301+H311+H331-H318-H341-H373-H402-H411
Packing Group	Ⅲ
Precautionary statements	P201-P280-P301+P330+P331-P303+P361+P353-P305+P351+P338
UN Code	UN 2810

Certificate of Analysis

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